2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile

C10H10ClNO — CID 84773777

IUPAC2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile
SMILESCc1cc(C)c(CC#N)c(O)c1Cl
InChIInChI=1S/C10H10ClNO/c1-6-5-7(2)9(11)10(13)8(6)3-4-12/h5,13H,3H2,1-2H3
InChIKeyOGHIAZQCXDTNDE-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.73
Rot. Bonds1

About 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile

2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile (PubChem CID 84773777) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile
PubChem CID84773777
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile
SMILESCc1cc(C)c(CC#N)c(O)c1Cl
InChIInChI=1S/C10H10ClNO/c1-6-5-7(2)9(11)10(13)8(6)3-4-12/h5,13H,3H2,1-2H3
InChIKeyOGHIAZQCXDTNDE-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile
CID 84766939
2-(2-chloro-6-methoxy-3,5-dimethylphenyl)acetonitrile
CID 84780993
2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol
CID 84669167
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile
CID 117302279
2-(2-chloro-6-hydroxy-3-methylphenyl)acetonitrile
CID 84768638
2-(4-chloro-3-hydroxy-5-methylphenyl)acetonitrile
CID 84768635
2-(2-chloro-5-hydroxy-3-methylphenyl)acetonitrile
CID 84768636
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile
CID 171021976
2-(2,6-dichloro-4-methylphenyl)acetonitrile
CID 119013215
2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile
CID 84800308
2-chloro-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117390249

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile?
The IUPAC name of 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile (CID 84773777) is 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile is Cc1cc(C)c(CC#N)c(O)c1Cl.
What is the InChIKey of 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile?
The InChIKey is OGHIAZQCXDTNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-6-5-7(2)9(11)10(13)8(6)3-4-12/h5,13H,3H2,1-2H3.
What are the key properties of 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile?
2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile has a molecular weight of 195.65 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile is sourced from PubChem (CID 84773777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).