2-hydroxy-5-(4-hydroxyphenyl)benzonitrile

C13H9NO2 — CID 53219834

IUPAC2-hydroxy-5-(4-hydroxyphenyl)benzonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)ccc1O
InChIInChI=1S/C13H9NO2/c14-8-11-7-10(3-6-13(11)16)9-1-4-12(15)5-2-9/h1-7,15-16H
InChIKeyHGZAAWVCEKXGEB-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.64
Rot. Bonds1

About 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile

2-hydroxy-5-(4-hydroxyphenyl)benzonitrile (PubChem CID 53219834) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-(4-hydroxyphenyl)benzonitrile
PubChem CID53219834
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name2-hydroxy-5-(4-hydroxyphenyl)benzonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)ccc1O
InChIInChI=1S/C13H9NO2/c14-8-11-7-10(3-6-13(11)16)9-1-4-12(15)5-2-9/h1-7,15-16H
InChIKeyHGZAAWVCEKXGEB-UHFFFAOYSA-N
XLogP2.64
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile?
The IUPAC name of 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile (CID 53219834) is 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile.
What is the SMILES notation for 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile?
The canonical SMILES for 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile is N#Cc1cc(-c2ccc(O)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile?
The InChIKey is HGZAAWVCEKXGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c14-8-11-7-10(3-6-13(11)16)9-1-4-12(15)5-2-9/h1-7,15-16H.
What are the key properties of 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile?
2-hydroxy-5-(4-hydroxyphenyl)benzonitrile has a molecular weight of 211.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-hydroxyphenyl)benzonitrile is sourced from PubChem (CID 53219834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).