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

C10H11NO — CID 117276124

IUPAC2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(CC#N)c(C)c1O
InChIInChI=1S/C10H11NO/c1-7-3-4-9(5-6-11)8(2)10(7)12/h3-4,12H,5H2,1-2H3
InChIKeyBFGMMLUSIJTVRA-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.08
Rot. Bonds1

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

2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile (PubChem CID 117276124) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile
PubChem CID117276124
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile
SMILESCc1ccc(CC#N)c(C)c1O
InChIInChI=1S/C10H11NO/c1-7-3-4-9(5-6-11)8(2)10(7)12/h3-4,12H,5H2,1-2H3
InChIKeyBFGMMLUSIJTVRA-UHFFFAOYSA-N
XLogP2.08
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dihydroxy-3-methylphenyl)acetonitrile
CID 84764573
2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile
CID 84766939
2-(3-bromo-2-hydroxy-4,5-dimethylphenyl)acetonitrile
CID 84800270
3-(2-hydroxypropyl)-2,6-dimethylphenol
CID 117278413
2-(2-bromo-3-fluoro-4-methylphenyl)acetonitrile
CID 84792026
2-(3-hydroxy-4-methyl-1-benzothiophen-7-yl)acetonitrile
CID 131000567
2,6-dimethyl-3-pentylphenol
CID 22762210
3-(2-aminooxyethyl)-2,6-dimethylphenol
CID 117278817
2-(4-iodo-2-methylphenyl)acetonitrile
CID 91883703
2-(3,4-dihydroxy-2-iodophenyl)acetonitrile
CID 15133321
2-(5-bromo-2-methylphenyl)acetonitrile
CID 12056531
2-(2,7,8-trimethylquinolin-4-yl)acetonitrile
CID 82448419

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile?
The IUPAC name of 2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile (CID 117276124) is 2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile?
The canonical SMILES for 2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile is Cc1ccc(CC#N)c(C)c1O.
What is the InChIKey of 2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile?
The InChIKey is BFGMMLUSIJTVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-3-4-9(5-6-11)8(2)10(7)12/h3-4,12H,5H2,1-2H3.
What are the key properties of 2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile?
2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile has a molecular weight of 161.20 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile is sourced from PubChem (CID 117276124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).