(2-Propylphenyl)methanol

CAS Number: 17475-43-3
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CCCc1c(CO)cccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H14O
Molecular Weight
150.22
Drug-likeness
-4.5363
CAS
17475-43-3
InChI key
ZAMZCSIXTWIEDY-UHFFFAOYSA-N
SMILES
CCCc1c(CO)cccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 17475-43-3
Molecule Name (2-Propylphenyl)methanol
Molecular Formula C10H14O
SMILES CCCc1c(CO)cccc1
InChI InChI=1S/C10H14O/c1-2-5-9-6-3-4-7-10(9)8-11/h3-4,6-7,11H,2,5,8H2,1H3
InChI Key ZAMZCSIXTWIEDY-UHFFFAOYSA-N
CanonicalSyTyLFy f67ab5887d07d10e
TotalMolweight 150.22
Molecular Weight 150.22
MonoisotopicMass 150.104465
CLogP 2.2762
CLogS -2.273
H Acceptors 1
H Donors 1
TotalSurfaceArea 133.15
Relative PSA 0.098385
PolarSurfaceArea 20.23
Drug-likeness -4.5363
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.63636
Molecula Flexibility 0.4967
Molecular Complexity 0.68024
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5

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