(2,6-Dimethoxy-4-methylphenyl)methanol

CAS Number: 875664-51-0
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Cc1cc(OC)c(CO)c(OC)c1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H14O3
Molecular Weight
182.218
Drug-likeness
-1.9642
CAS
875664-51-0
InChI key
FZOYONABQLHLHW-UHFFFAOYSA-N
SMILES
Cc1cc(OC)c(CO)c(OC)c1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 875664-51-0
Molecule Name (2,6-Dimethoxy-4-methylphenyl)methanol
Molecular Formula C10H14O3
SMILES Cc1cc(OC)c(CO)c(OC)c1
InChI InChI=1S/C10H14O3/c1-7-4-9(12-2)8(6-11)10(5-7)13-3/h4-5,11H,6H2,1-3H3
InChI Key FZOYONABQLHLHW-UHFFFAOYSA-N
CanonicalSyTyLFy 9d7b2dc3f32bc42e
TotalMolweight 182.218
Molecular Weight 182.218
MonoisotopicMass 182.094295
CLogP 1.2662
CLogS -1.88
H Acceptors 3
H Donors 1
TotalSurfaceArea 150.15
Relative PSA 0.22045
PolarSurfaceArea 38.69
Drug-likeness -1.9642
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.53846
Molecula Flexibility 0.22777
Molecular Complexity 0.74239
Fragments 1
Non HAtoms 13
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 7
Symmetricatoms 4

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