4-hydroxy-2,3-diphenylbenzonitrile

C19H13NO — CID 162768355

IUPAC4-hydroxy-2,3-diphenylbenzonitrile
SMILESN#Cc1ccc(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H13NO/c20-13-16-11-12-17(21)19(15-9-5-2-6-10-15)18(16)14-7-3-1-4-8-14/h1-12,21H
InChIKeyDJYZEHMQOJWILA-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.60
Rot. Bonds2

About 4-hydroxy-2,3-diphenylbenzonitrile

4-hydroxy-2,3-diphenylbenzonitrile (PubChem CID 162768355) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-hydroxy-2,3-diphenylbenzonitrile.

Molecular Properties

Compound Name4-hydroxy-2,3-diphenylbenzonitrile
PubChem CID162768355
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name4-hydroxy-2,3-diphenylbenzonitrile
SMILESN#Cc1ccc(O)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H13NO/c20-13-16-11-12-17(21)19(15-9-5-2-6-10-15)18(16)14-7-3-1-4-8-14/h1-12,21H
InChIKeyDJYZEHMQOJWILA-UHFFFAOYSA-N
XLogP4.60
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
2-hydroxy-4-phenylbenzonitrile
CID 23148964
4-cyano-3-phenylphthalic acid
CID 151383359
tris(4-cyano-2,3-diphenylphenyl) phosphite
CID 67894422
4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455
4-methyl-2-phenylbenzene-1,3-dicarbonitrile
CID 90016382
diethyl butanedioate;2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765817
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
2,3-diphenyl-4-sulfanylphenol
CID 87968184
3-ethynyl-2-phenylbenzonitrile
CID 174660644
3-fluoro-2-phenylbenzonitrile
CID 46314737
1-phenylanthracene-2-carbonitrile
CID 175261517

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-diphenylbenzonitrile?
The IUPAC name of 4-hydroxy-2,3-diphenylbenzonitrile (CID 162768355) is 4-hydroxy-2,3-diphenylbenzonitrile.
What is the SMILES notation for 4-hydroxy-2,3-diphenylbenzonitrile?
The canonical SMILES for 4-hydroxy-2,3-diphenylbenzonitrile is N#Cc1ccc(O)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-2,3-diphenylbenzonitrile?
The InChIKey is DJYZEHMQOJWILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c20-13-16-11-12-17(21)19(15-9-5-2-6-10-15)18(16)14-7-3-1-4-8-14/h1-12,21H.
What are the key properties of 4-hydroxy-2,3-diphenylbenzonitrile?
4-hydroxy-2,3-diphenylbenzonitrile has a molecular weight of 271.32 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-diphenylbenzonitrile is sourced from PubChem (CID 162768355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).