4-(2,6-dihydroxyphenyl)benzonitrile

C13H9NO2 — CID 175279550

IUPAC4-(2,6-dihydroxyphenyl)benzonitrile
SMILESN#Cc1ccc(-c2c(O)cccc2O)cc1
InChIInChI=1S/C13H9NO2/c14-8-9-4-6-10(7-5-9)13-11(15)2-1-3-12(13)16/h1-7,15-16H
InChIKeyACEZNMBKBRHAPX-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.64
Rot. Bonds1

About 4-(2,6-dihydroxyphenyl)benzonitrile

4-(2,6-dihydroxyphenyl)benzonitrile (PubChem CID 175279550) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(2,6-dihydroxyphenyl)benzonitrile.

Molecular Properties

Compound Name4-(2,6-dihydroxyphenyl)benzonitrile
PubChem CID175279550
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name4-(2,6-dihydroxyphenyl)benzonitrile
SMILESN#Cc1ccc(-c2c(O)cccc2O)cc1
InChIInChI=1S/C13H9NO2/c14-8-9-4-6-10(7-5-9)13-11(15)2-1-3-12(13)16/h1-7,15-16H
InChIKeyACEZNMBKBRHAPX-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 4-(2,6-dihydroxyphenyl)benzonitrile?
The IUPAC name of 4-(2,6-dihydroxyphenyl)benzonitrile (CID 175279550) is 4-(2,6-dihydroxyphenyl)benzonitrile.
What is the SMILES notation for 4-(2,6-dihydroxyphenyl)benzonitrile?
The canonical SMILES for 4-(2,6-dihydroxyphenyl)benzonitrile is N#Cc1ccc(-c2c(O)cccc2O)cc1.
What is the InChIKey of 4-(2,6-dihydroxyphenyl)benzonitrile?
The InChIKey is ACEZNMBKBRHAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c14-8-9-4-6-10(7-5-9)13-11(15)2-1-3-12(13)16/h1-7,15-16H.
What are the key properties of 4-(2,6-dihydroxyphenyl)benzonitrile?
4-(2,6-dihydroxyphenyl)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 4-(2,6-dihydroxyphenyl)benzonitrile is sourced from PubChem (CID 175279550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).