(2-Methoxy-6-methylphenyl)methanol

CAS Number: 89244-39-3
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Cc1cccc(OC)c1CO
Molecule Information
Mutagenic: low Tumorigenic: none Irritant: high
Formula
C9H12O2
Molecular Weight
152.192
Drug-likeness
-1.9642
CAS
89244-39-3
InChI key
ZQQCKABKEUYODO-UHFFFAOYSA-N
SMILES
Cc1cccc(OC)c1CO
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 89244-39-3
Molecule Name (2-Methoxy-6-methylphenyl)methanol
Molecular Formula C9H12O2
SMILES Cc1cccc(OC)c1CO
InChI InChI=1S/C9H12O2/c1-7-4-3-5-9(11-2)8(7)6-10/h3-5,10H,6H2,1-2H3
InChI Key ZQQCKABKEUYODO-UHFFFAOYSA-N
CanonicalSyTyLFy d5b4dbd9d5c3873c
TotalMolweight 152.192
Molecular Weight 152.192
MonoisotopicMass 152.08373
CLogP 1.3362
CLogS -1.862
H Acceptors 2
H Donors 1
TotalSurfaceArea 127.89
Relative PSA 0.18062
PolarSurfaceArea 29.46
Drug-likeness -1.9642
Mutagenic low
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.54545
Molecula Flexibility 0.26228
Molecular Complexity 0.73778
Fragments 1
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5

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