4-(Cyclobutyloxy)benzoic acid

Formula:C11H12O3 CAS:62577-95-1 ChemrytIQ

PropertyValue
Casrn62577-95-1
MolName4-(Cyclobutyloxy)benzoic acid
MolecularFormulaC11H12O3
SmilesOC(c(cc1)ccc1OC1CCC1)=O
InChIInChI=1S/C11H12O3/c12-11(13)8-4-6-10(7-5-8)14-9-2-1-3-9/h4-7,9H,1-3H2,(H,12,13)
InChIKSBJGJSIFGXOICD-UHFFFAOYSA-N
CanonicalSyTyLFyfa4ba71d1565c236
TotalMolweight192.213
Molweight192.213
MonoisotopicMass192.078645
CLogP1.9464
CLogS-2.681
H Acceptors3
H Donors1
TotalSurfaceArea147.64
Relative PSA0.24478
PolarSurfaceArea46.53
Druglikeness-1.6283
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.71429
Molecula Flexibility0.39141
Molecular Complexity0.55303
Fragments1
Non HAtoms14
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms6
Symmetricatoms3
AcidicOxygens1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
100020-94-8highnonelowC12H17OCl212.719-11.962 ChemrytIQ
1000198-76-4nonenonenoneC11H12NF3215.217-5.8988 ChemrytIQ
1000-58-4highhighhighC4H8Cl4Si226.006-54.611 ChemrytIQ
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
100-53-8nonehighhighC7H8S124.207-6.3177 ChemrytIQ
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949 ChemrytIQ
100010-21-7nonenonenoneC14H21NO219.327-4.2999 ChemrytIQ
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895 ChemrytIQ
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142 ChemrytIQ
1000-22-2lowhighlowC6H14O2FPS200.213-11.052 ChemrytIQ
100-82-3nonenonenoneC7H8NF125.146-3.4112 ChemrytIQ
1000269-66-8nonenonenoneC12H20N4220.3190.5423 ChemrytIQ
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213 ChemrytIQ
100010-00-2nonenonenoneC20H23NO5357.405-3.7157 ChemrytIQ
100007-62-3nonenonehighC8H13NO139.197-8.1398 ChemrytIQ
100005-79-6nonenonenoneC12H9NS199.276-2.6106 ChemrytIQ
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167 ChemrytIQ
100004-95-3nonenonenoneC13H11NO3229.234-1.3547 ChemrytIQ
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405 ChemrytIQ
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883 ChemrytIQ
100031-98-9nonenonehighC12H29O4F3Si4406.696-100.78 ChemrytIQ
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81 ChemrytIQ
100-47-0highnonehighC7H5N103.124-6.0498 ChemrytIQ
1000269-65-7nonenonenoneC12H19N3205.3040.25629 ChemrytIQ
10001-30-6nonenonenoneC17H14O4282.294-0.8408 ChemrytIQ
100-65-2highnonenoneC6H7NO109.128-1.548 ChemrytIQ
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179 ChemrytIQ
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
100007-55-4nonenonenoneC35H39O19763.676-1.2907 ChemrytIQ
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248 ChemrytIQ
100-11-8lowhighnoneC7H6NO2Br216.034-13.162 ChemrytIQ
100-93-6highhighhighC19H18N2O2S338.43-12.848 ChemrytIQ
100-20-9highnonelowC8H4O2Cl2203.024-10.706 ChemrytIQ
1000198-80-0nonenonenoneC11H14NF179.237-0.04876 ChemrytIQ
1000339-31-0nonenonehighC12H16NCl209.7190.65299 ChemrytIQ
100004-79-3nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216 ChemrytIQ
1000-05-1nonenonehighC8H26O3Si4282.635-83.299 ChemrytIQ
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529 ChemrytIQ
10003-69-7nonenonenoneC10H14O8S4390.4770.2775 ChemrytIQ
10-00-4nonenonenoneC28H34O8498.57-4.8409 ChemrytIQ
100009-92-5nonenonenoneC20H23NO4341.4064.6216 ChemrytIQ
100021-05-4nonenonenoneC21H28O2312.4510.95307 ChemrytIQ
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568 ChemrytIQ
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
10001-82-8nonenonenoneC24H26N4O5S482.5599.4242 ChemrytIQ
10002-97-8nonenonenoneC18H30O2278.4340.24997 ChemrytIQ
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926 ChemrytIQ
1000000-13-4highhighhighC21H28O12472.441-0.17986 ChemrytIQ
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858 ChemrytIQ
1000018-48-3nonenonenoneC12H15NO4S269.321.5148 ChemrytIQ
100009-23-2nonenonehighC17H22226.362-9.7346 ChemrytIQ
10001-13-5nonenonehighC12H22N2O210.323.9217 ChemrytIQ
100-12-9nonenonenoneC8H9NO2151.164-7.7443 ChemrytIQ
10003-42-6nonenonenoneC11H11NO4221.211-4.7046 ChemrytIQ
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843 ChemrytIQ
1000339-24-1nonenonenoneC7H4NOF137.113-7.3916 ChemrytIQ
1000339-32-1nonenonenoneC11H14NF179.2370.6275 ChemrytIQ
100020-83-5nonenonelowC7H11O3B153.972-20.814 ChemrytIQ