2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile

C10H10ClNO — CID 130135122

IUPAC2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile
SMILESCc1c(Cl)ccc(C(C)C#N)c1O
InChIInChI=1S/C10H10ClNO/c1-6(5-12)8-3-4-9(11)7(2)10(8)13/h3-4,6,13H,1-2H3
InChIKeyACFQMMMDNVHQRD-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.98
Rot. Bonds1

About 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile

2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile (PubChem CID 130135122) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile.

Molecular Properties

Compound Name2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile
PubChem CID130135122
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile
SMILESCc1c(Cl)ccc(C(C)C#N)c1O
InChIInChI=1S/C10H10ClNO/c1-6(5-12)8-3-4-9(11)7(2)10(8)13/h3-4,6,13H,1-2H3
InChIKeyACFQMMMDNVHQRD-UHFFFAOYSA-N
XLogP2.98
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol
CID 130656193
2-(2,3-dihydroxyphenyl)propanenitrile
CID 131537955
2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile
CID 84768882
3-chloro-6-[(1S)-1,2-diaminoethyl]-2-methylphenol
CID 66517046
2-(3-fluoro-2-hydroxyphenyl)propanenitrile
CID 130135005
2-(3-bromo-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84805082
2-(2,3-dichlorophenyl)propanenitrile
CID 69268424
3-chloro-2,6-dimethylphenol;3-methyl-4-propan-2-ylphenol
CID 70144802
2-(3-chloro-2-iodophenyl)propanenitrile
CID 122656408
2-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)propanenitrile
CID 84783023
2-(5-bromo-4-chloro-2-methylphenyl)propanenitrile
CID 84806025
2,6-dichloro-3-propan-2-ylphenol
CID 174112447

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile?
The IUPAC name of 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile (CID 130135122) is 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile.
What is the SMILES notation for 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile?
The canonical SMILES for 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile is Cc1c(Cl)ccc(C(C)C#N)c1O.
What is the InChIKey of 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile?
The InChIKey is ACFQMMMDNVHQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-6(5-12)8-3-4-9(11)7(2)10(8)13/h3-4,6,13H,1-2H3.
What are the key properties of 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile?
2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile has a molecular weight of 195.65 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-hydroxy-3-methylphenyl)propanenitrile is sourced from PubChem (CID 130135122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).