3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile

C16H15NO — CID 79136873

IUPAC3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile
SMILESCC(C#N)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO/c1-12(11-17)16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16,18H,1H3
InChIKeyVXPDSIHQJHWKIB-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.55
Rot. Bonds3

About 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile

3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile (PubChem CID 79136873) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile.

Molecular Properties

Compound Name3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile
PubChem CID79136873
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile
SMILESCC(C#N)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H15NO/c1-12(11-17)16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16,18H,1H3
InChIKeyVXPDSIHQJHWKIB-UHFFFAOYSA-N
XLogP3.55
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-(4-phenylphenyl)acetonitrile
CID 66070699
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
2-[hydroxy-(4-phenylphenyl)methyl]-3-methylbutanoic acid
CID 62396839
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
1-[4-[4-(1-hydroxy-2-methylpropyl)phenyl]phenyl]-2-methylpropan-1-ol
CID 154573668
2-methoxy-1-(4-phenylphenyl)butan-1-ol
CID 116710860
2,4-dimethyl-3-phenylpentanedinitrile
CID 19049764
3-(3,4-difluorophenyl)-3-hydroxy-2-methylpropanenitrile
CID 79137149
2-bromo-2-ethylsulfonyl-1-(4-phenylphenyl)ethanol
CID 102550046
2-cyano-2-(4-phenylphenyl)acetamide
CID 22361186
1-(4-phenylphenyl)butane-1,2,4-triol
CID 171873101
1-(4-phenylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820677

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile?
The IUPAC name of 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile (CID 79136873) is 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile.
What is the SMILES notation for 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile?
The canonical SMILES for 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile is CC(C#N)C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile?
The InChIKey is VXPDSIHQJHWKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12(11-17)16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16,18H,1H3.
What are the key properties of 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile?
3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile has a molecular weight of 237.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-3-(4-phenylphenyl)propanenitrile is sourced from PubChem (CID 79136873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).