8-Methoxy-3-methylnaphthalen-1-ol

CAS Number: 22273-56-9
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Cc1cc(O)c2c(OC)cccc2c1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C12H12O2
Molecular Weight
188.225
Drug-likeness
-2.0171
CAS
22273-56-9
InChI key
IJJNDUUHBYEDNU-UHFFFAOYSA-N
SMILES
Cc1cc(O)c2c(OC)cccc2c1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 22273-56-9
Molecule Name 8-Methoxy-3-methylnaphthalen-1-ol
Molecular Formula C12H12O2
SMILES Cc1cc(O)c2c(OC)cccc2c1
InChI InChI=1S/C12H12O2/c1-8-6-9-4-3-5-11(14-2)12(9)10(13)7-8/h3-7,13H,1-2H3
InChI Key IJJNDUUHBYEDNU-UHFFFAOYSA-N
CanonicalSyTyLFy 77da98865aed02cb
TotalMolweight 188.225
Molecular Weight 188.225
MonoisotopicMass 188.08373
CLogP 2.7822
CLogS -3.288
H Acceptors 2
H Donors 1
TotalSurfaceArea 148.73
Relative PSA 0.15531
PolarSurfaceArea 29.46
Drug-likeness -2.0171
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecula Flexibility 0.016364
Molecular Complexity 0.72323
Fragments 1
Non HAtoms 14
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 10
Sp3Atoms 4

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