2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile

C11H13NO — CID 84766939

IUPAC2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile
SMILESCc1cc(C)c(CC#N)c(C)c1O
InChIInChI=1S/C11H13NO/c1-7-6-8(2)11(13)9(3)10(7)4-5-12/h6,13H,4H2,1-3H3
InChIKeyLZCVVHNEMFVNBZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.38
Rot. Bonds1

About 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile

2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile (PubChem CID 84766939) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile
PubChem CID84766939
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile
SMILESCc1cc(C)c(CC#N)c(C)c1O
InChIInChI=1S/C11H13NO/c1-7-6-8(2)11(13)9(3)10(7)4-5-12/h6,13H,4H2,1-3H3
InChIKeyLZCVVHNEMFVNBZ-UHFFFAOYSA-N
XLogP2.38
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile
CID 84773777
2-(5-bromo-2-hydroxy-3,6-dimethylphenyl)acetonitrile
CID 84800308
2-(3-hydroxy-2,4-dimethylphenyl)acetonitrile
CID 117276124
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
2-(4-fluoro-2-hydroxy-6-methylphenyl)acetonitrile
CID 171021976
3-(azidomethyl)-2,4,6-trimethylphenol
CID 151948155
2-(2-fluoro-6-hydroxy-4-methylphenyl)acetonitrile
CID 171021297
2-(3-bromo-2-hydroxy-4,5-dimethylphenyl)acetonitrile
CID 84800270
2-(3-bromo-4-hydroxy-2,5,6-trimethylphenyl)acetonitrile
CID 115110966
2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol
CID 59638979
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile
CID 117302279
2-(3-hydroxy-2,4,6-trimethylphenyl)propanenitrile
CID 84771185

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile?
The IUPAC name of 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile (CID 84766939) is 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile?
The canonical SMILES for 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile is Cc1cc(C)c(CC#N)c(C)c1O.
What is the InChIKey of 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile?
The InChIKey is LZCVVHNEMFVNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-6-8(2)11(13)9(3)10(7)4-5-12/h6,13H,4H2,1-3H3.
What are the key properties of 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile?
2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,4,6-trimethylphenyl)acetonitrile is sourced from PubChem (CID 84766939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).