2-(4-hydroxyphenyl)benzonitrile

C13H9NO — CID 15541113

IUPAC2-(4-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(O)cc1
InChIInChI=1S/C13H9NO/c14-9-11-3-1-2-4-13(11)10-5-7-12(15)8-6-10/h1-8,15H
InChIKeyHBPAPDGVCPVONJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.93
Rot. Bonds1

About 2-(4-hydroxyphenyl)benzonitrile

2-(4-hydroxyphenyl)benzonitrile (PubChem CID 15541113) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)benzonitrile.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)benzonitrile
PubChem CID15541113
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name2-(4-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(O)cc1
InChIInChI=1S/C13H9NO/c14-9-11-3-1-2-4-13(11)10-5-7-12(15)8-6-10/h1-8,15H
InChIKeyHBPAPDGVCPVONJ-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-(4-hydroxyphenyl)benzonitrile?
The IUPAC name of 2-(4-hydroxyphenyl)benzonitrile (CID 15541113) is 2-(4-hydroxyphenyl)benzonitrile.
What is the SMILES notation for 2-(4-hydroxyphenyl)benzonitrile?
The canonical SMILES for 2-(4-hydroxyphenyl)benzonitrile is N#Cc1ccccc1-c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)benzonitrile?
The InChIKey is HBPAPDGVCPVONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c14-9-11-3-1-2-4-13(11)10-5-7-12(15)8-6-10/h1-8,15H.
What are the key properties of 2-(4-hydroxyphenyl)benzonitrile?
2-(4-hydroxyphenyl)benzonitrile 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-(4-hydroxyphenyl)benzonitrile is sourced from PubChem (CID 15541113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).