2-hydroxy-2-phenylacetonitrile

C8H7NO — CID 10758

IUPAC2-hydroxy-2-phenylacetonitrile
SMILESN#CC(O)c1ccccc1
InChIInChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H
InChIKeyNNICRUQPODTGRU-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.24
Rot. Bonds1

About 2-hydroxy-2-phenylacetonitrile

2-hydroxy-2-phenylacetonitrile (PubChem CID 10758) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-hydroxy-2-phenylacetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-phenylacetonitrile
PubChem CID10758
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name2-hydroxy-2-phenylacetonitrile
SMILESN#CC(O)c1ccccc1
InChIInChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H
InChIKeyNNICRUQPODTGRU-UHFFFAOYSA-N
XLogP1.24
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.24
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

Benzyl Alcohol
CID 244
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516
(S)-Mandelonitrile
CID 439767
Mandelonitrile, (+)-
CID 9548674
alpha,4-Dihydroxybenzeneacetonitrile
CID 166768

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylacetonitrile?
The IUPAC name of 2-hydroxy-2-phenylacetonitrile (CID 10758) is 2-hydroxy-2-phenylacetonitrile.
What is the SMILES notation for 2-hydroxy-2-phenylacetonitrile?
The canonical SMILES for 2-hydroxy-2-phenylacetonitrile is N#CC(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylacetonitrile?
The InChIKey is NNICRUQPODTGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H.
What are the key properties of 2-hydroxy-2-phenylacetonitrile?
2-hydroxy-2-phenylacetonitrile has a molecular weight of 133.15 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylacetonitrile is sourced from PubChem (CID 10758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).