2-hydroxy-3,3-diphenylpropanenitrile

C15H13NO — CID 11253065

IUPAC2-hydroxy-3,3-diphenylpropanenitrile
SMILESN#CC(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c16-11-14(17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H
InChIKeyXBQKKNIPWGUMJM-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.70
Rot. Bonds3

About 2-hydroxy-3,3-diphenylpropanenitrile

2-hydroxy-3,3-diphenylpropanenitrile (PubChem CID 11253065) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-hydroxy-3,3-diphenylpropanenitrile.

Molecular Properties

Compound Name2-hydroxy-3,3-diphenylpropanenitrile
PubChem CID11253065
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-hydroxy-3,3-diphenylpropanenitrile
SMILESN#CC(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13NO/c16-11-14(17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H
InChIKeyXBQKKNIPWGUMJM-UHFFFAOYSA-N
XLogP2.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

Mandelonitrile
CID 10758
2-Phenylcyclohexanol
CID 15046
PF-998425
CID 25093231
(S)-Mandelonitrile
CID 439767
Mandelonitrile, (+)-
CID 9548674
beta-Phenylphenethyl alcohol
CID 74662
3,3-Diphenylpropanol
CID 29908
1,3-Diphenyl-2-propanol
CID 138478
4-(2-Hydroxycyclohexyl)-2-(trifluoromethyl)benzonitrile
CID 25093229
4-(2-Hydroxyethyl)benzonitrile
CID 2800815
3-Phenyllactonitrile
CID 291037
2-[Hydroxy(phenyl)methyl]prop-2-enenitrile
CID 10241077

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-diphenylpropanenitrile?
The IUPAC name of 2-hydroxy-3,3-diphenylpropanenitrile (CID 11253065) is 2-hydroxy-3,3-diphenylpropanenitrile.
What is the SMILES notation for 2-hydroxy-3,3-diphenylpropanenitrile?
The canonical SMILES for 2-hydroxy-3,3-diphenylpropanenitrile is N#CC(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-3,3-diphenylpropanenitrile?
The InChIKey is XBQKKNIPWGUMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c16-11-14(17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15,17H.
What are the key properties of 2-hydroxy-3,3-diphenylpropanenitrile?
2-hydroxy-3,3-diphenylpropanenitrile has a molecular weight of 223.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-diphenylpropanenitrile is sourced from PubChem (CID 11253065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).