1-(3,4-dimethoxyphenyl)propan-1-ol

Formula:C11H16O3 CAS:10548-83-1 ChemrytIQ

PropertyValue
Casrn10548-83-1
MolName1-(3,4-dimethoxyphenyl)propan-1-ol
MolecularFormulaC11H16O3
SmilesCCC(c(cc1)cc(OC)c1OC)O
InChIInChI=1S/C11H16O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9,12H,4H2,1-3H3/t9-/m0/s1
InChIKNMYXSFKGIICIIM-VIFPVBQESA-N
CanonicalSyTyLFyc79c7f5313d299b5
TotalMolweight196.245
Molweight196.245
MonoisotopicMass196.109945
CLogP1.6634
CLogS-1.877
H Acceptors3
H Donors1
TotalSurfaceArea162.65
Relative PSA0.2035
PolarSurfaceArea38.69
Druglikeness-2.863
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64286
Molecula Flexibility0.36263
Molecular Complexity0.66888
Fragments1
Non HAtoms14
NonCHAtoms3
Electronegative Atoms3
StereoCenters1
Rotatable Bond4
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms8
StereoConracemate
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-02-7nonenonenoneC6H5NO3139.11-7.5665 ChemrytIQ
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100016-58-8nonehighnoneC19H19NO5341.3621.8385 ChemrytIQ
100-45-8nonenonehighC7H9N107.155-10.018 ChemrytIQ
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1000269-51-1nonenonenoneC13H12NO4B257.052-12.285 ChemrytIQ
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874 ChemrytIQ
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858 ChemrytIQ
100-67-4nonenonenoneK.C6H5O93.1047-2.2548 ChemrytIQ
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100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
100-11-8lowhighnoneC7H6NO2Br216.034-13.162 ChemrytIQ
100007-87-2nonenonenoneC16H9N2OBr325.1640.88714 ChemrytIQ
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077 ChemrytIQ
1000339-45-6nonenonehighC8H14O2F2180.193-28.199 ChemrytIQ
100-29-8nonenonenoneC8H9NO3167.163-8.928 ChemrytIQ
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100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575 ChemrytIQ
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