CC1=CC(=CC(=C1O)C)C#N
CAS: 4198-90-7
Name: 4-hydroxy-3,5-dimethylbenzonitrile
SMILES: CC1=CC(=CC(=C1O)C)C#N

Molecular Processing

Molecular formula
C9H9NO
Molecular weight
147.18
Exact mass
147.0684
XLogP
1.88
TPSA
44.02
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
42.3

Supplementary Information

InChIKey: WFYGXOWFEIOHCZ-UHFFFAOYSA-N
Synonyme
4-Hydroxy-3,5-dimethylbenzonitrile4198-90-73,5-Dimethyl-4-hydroxybenzonitrileBENZONITRILE, 3,5-DIMETHYL-4-HYDROXY-BRN 2574734FP7F5WF7R4DTXSID00194791BENZONITRILE, 4-HYDROXY-3,5-DIMETHYL-RefChem:486988CHEMBL-4207620DTXCID40117282619-915-72,6-Dimethyl-4-cyanophenol4-Cyano-2,6-dimethylphenol4-Hydroxy-3,5-DiMethyl-BenzonitrileMFCD00221716CHEMBL42076204-hydroxy-3,5-dimethylbenzenecarbonitrile4-Hydroxy-3,5-dimethyl-benzonitrile; 2,6-Dimethyl-4-cyanophenol; 4-Cyano-2,6-dimethylphenol; 4-Hydroxy-3,5-dimethylbenzonitrile;UNII-FP7F5WF7R4SCHEMBL197918orb3027241SCHEMBL16649897CHEBI:1948333,5,-dimethyl-4-hydroxybenzonitrile3,5-dimethyl-4-hydroxy-benzonitrile4-hydroxy-3,5-dimethyl benzonitrileBDBM50458420SBB0058194-hydroxy 3, 5-dimethyl benzonitrile
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