(2-Methoxyphenyl)(2-methylphenyl)methanone

CAS Number: 142256-62-0
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Cc(cccc1)c1C(c(cccc1)c1OC)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C15H14O2
Molecular Weight
226.274
Drug-likeness
-1.0316
CAS
142256-62-0
InChI key
GSVWFQXACSDTHI-UHFFFAOYSA-N
SMILES
Cc(cccc1)c1C(c(cccc1)c1OC)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 142256-62-0
Molecule Name (2-Methoxyphenyl)(2-methylphenyl)methanone
Molecular Formula C15H14O2
SMILES Cc(cccc1)c1C(c(cccc1)c1OC)=O
InChI InChI=1S/C15H14O2/c1-11-7-3-4-8-12(11)15(16)13-9-5-6-10-14(13)17-2/h3-10H,1-2H3
InChI Key GSVWFQXACSDTHI-UHFFFAOYSA-N
CanonicalSyTyLFy 50c418382b4de2ae
TotalMolweight 226.274
Molecular Weight 226.274
MonoisotopicMass 226.09938
CLogP 3.0635
CLogS -4.078
H Acceptors 2
TotalSurfaceArea 185.29
Relative PSA 0.12435
PolarSurfaceArea 26.3
Drug-likeness -1.0316
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.52941
Molecula Flexibility 0.53462
Molecular Complexity 0.6766
Fragments 1
Non HAtoms 17
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 3

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