2-hydroxy-4-phenylbenzonitrile

C13H9NO — CID 23148964

IUPAC2-hydroxy-4-phenylbenzonitrile
SMILESN#Cc1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C13H9NO/c14-9-12-7-6-11(8-13(12)15)10-4-2-1-3-5-10/h1-8,15H
InChIKeyDKLJNQAGZBVPLO-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.93
Rot. Bonds1

About 2-hydroxy-4-phenylbenzonitrile

2-hydroxy-4-phenylbenzonitrile (PubChem CID 23148964) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-hydroxy-4-phenylbenzonitrile.

Molecular Properties

Compound Name2-hydroxy-4-phenylbenzonitrile
PubChem CID23148964
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name2-hydroxy-4-phenylbenzonitrile
SMILESN#Cc1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C13H9NO/c14-9-12-7-6-11(8-13(12)15)10-4-2-1-3-5-10/h1-8,15H
InChIKeyDKLJNQAGZBVPLO-UHFFFAOYSA-N
XLogP2.93
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-phenylbenzonitrile?
The IUPAC name of 2-hydroxy-4-phenylbenzonitrile (CID 23148964) is 2-hydroxy-4-phenylbenzonitrile.
What is the SMILES notation for 2-hydroxy-4-phenylbenzonitrile?
The canonical SMILES for 2-hydroxy-4-phenylbenzonitrile is N#Cc1ccc(-c2ccccc2)cc1O.
What is the InChIKey of 2-hydroxy-4-phenylbenzonitrile?
The InChIKey is DKLJNQAGZBVPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c14-9-12-7-6-11(8-13(12)15)10-4-2-1-3-5-10/h1-8,15H.
What are the key properties of 2-hydroxy-4-phenylbenzonitrile?
2-hydroxy-4-phenylbenzonitrile has a molecular weight of 195.22 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-phenylbenzonitrile is sourced from PubChem (CID 23148964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).