(3-Methoxy-5-propoxyphenyl)boronic acid

Formula:C10H15O4B CAS:1256355-14-2 ChemrytIQ

PropertyValue
Casrn1256355-14-2
MolName(3-Methoxy-5-propoxyphenyl)boronic acid
MolecularFormulaC10H15O4B
SmilesCCCOc1cc(OC)cc(B(O)O)c1
InChIInChI=1S/C10H15BO4/c1-3-4-15-10-6-8(11(12)13)5-9(7-10)14-2/h5-7,12-13H,3-4H2,1-2H3
InChIKANJXKRYTZHDYKI-UHFFFAOYSA-N
CanonicalSyTyLFy640b0e9a55a5c269
TotalMolweight210.036
Molweight210.036
MonoisotopicMass210.10634
CLogP2.1037
CLogS0.499
H Acceptors4
H Donors2
TotalSurfaceArea172.6
Relative PSA0.26767
PolarSurfaceArea58.92
Druglikeness-13.29
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsunwanted atom
Shape Index0.6
Molecula Flexibility0.50051
Molecular Complexity0.62778
Fragments1
Non HAtoms15
NonCHAtoms5
Electronegative Atoms4
Rotatable Bond5
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms8
Symmetricatoms1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-29-8nonenonenoneC8H9NO3167.163-8.928 ChemrytIQ
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100-79-8nonelownoneC6H12O3132.158-9.8672 ChemrytIQ
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10000-42-7highhighlowC20H18N4O3362.388-5.7793 ChemrytIQ
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1000339-55-8nonenonenoneC9H7O2F3204.147-12.197 ChemrytIQ
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1000017-93-5nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052 ChemrytIQ
100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949 ChemrytIQ
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248 ChemrytIQ
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815 ChemrytIQ
100009-23-2nonenonehighC17H22226.362-9.7346 ChemrytIQ
100-47-0highnonehighC7H5N103.124-6.0498 ChemrytIQ
1000-28-8nonenonenoneC6H3OF11300.067-44.343 ChemrytIQ
1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
1000-82-4lowhighhighC2H6N2O290.08160.41759 ChemrytIQ
100004-54-4nonehighnoneC4H8Te183.708-3.9699 ChemrytIQ
10000-51-8nonenonenoneC14H15NO3245.2770.10503 ChemrytIQ
100-22-1highhighnoneC10H16N2164.2510.40939 ChemrytIQ
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356 ChemrytIQ
100033-59-8nonenonenoneC8H16N2140.2290.9406 ChemrytIQ
1000339-25-2nonenonenoneC14H8N2OBrF319.133-1.9975 ChemrytIQ
100007-55-4nonenonenoneC35H39O19763.676-1.2907 ChemrytIQ
100010-00-2nonenonenoneC20H23NO5357.405-3.7157 ChemrytIQ
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412 ChemrytIQ
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179 ChemrytIQ
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529 ChemrytIQ
100-68-5nonenonenoneC7H8S124.207-1.735 ChemrytIQ
100-16-3lowhighnoneC6H7N3O2153.141-9.8627 ChemrytIQ
100004-93-1nonehighnoneC16H11NO2249.268-1.5746 ChemrytIQ
100004-94-2nonenonenoneC13H11NO2213.235-1.5864 ChemrytIQ
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545 ChemrytIQ
1000-87-9nonenonenoneC7H1296.1723-2.6557 ChemrytIQ
100021-85-0nonehighhighH3O4P.C16H32O2.C2H8N2256.428-25.216 ChemrytIQ
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121 ChemrytIQ
100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
1000284-53-6nonenonehighC18H36O2284.482-15.583 ChemrytIQ
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344 ChemrytIQ
100021-79-2nonehighhighC16H32O2.C2H8N2256.428-25.216 ChemrytIQ
1000339-13-8lownonelowC7H10NO4ClS239.678-21.883 ChemrytIQ
100021-46-3nonenonenoneC9H11NO2165.191-3.1955 ChemrytIQ
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449 ChemrytIQ
100004-92-0nonenonenoneC16H11NO2249.268-1.5746 ChemrytIQ
100-23-2nonehighnoneC8H10N2O2166.179-5.0759 ChemrytIQ
100-70-9nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
100-97-0highhighhighC6H12N4140.1891.5849 ChemrytIQ
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142 ChemrytIQ
100010-21-7nonenonenoneC14H21NO219.327-4.2999 ChemrytIQ
100021-81-6nonenonenoneH3O4P.C20H42N2O326.566-22.282 ChemrytIQ
100-26-5nonenonenoneC7H5NO4167.12-1.5746 ChemrytIQ
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866 ChemrytIQ
10001-52-2highhighnoneC11H10N6O3S306.3056.7202 ChemrytIQ
1000017-92-4nonenonenoneC6H4NBr2Cl285.366-3.6 ChemrytIQ
100009-99-2lowhighnoneC21H25NO4355.4332.9337 ChemrytIQ
1000198-80-0nonenonenoneC11H14NF179.237-0.04876 ChemrytIQ