2-(3-formyl-4-hydroxyphenyl)benzonitrile

C14H9NO2 — CID 23005123

IUPAC2-(3-formyl-4-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(O)c(C=O)c1
InChIInChI=1S/C14H9NO2/c15-8-11-3-1-2-4-13(11)10-5-6-14(17)12(7-10)9-16/h1-7,9,17H
InChIKeyKRRSKADOVCJKBF-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.74
Rot. Bonds2

About 2-(3-formyl-4-hydroxyphenyl)benzonitrile

2-(3-formyl-4-hydroxyphenyl)benzonitrile (PubChem CID 23005123) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(3-formyl-4-hydroxyphenyl)benzonitrile.

Molecular Properties

Compound Name2-(3-formyl-4-hydroxyphenyl)benzonitrile
PubChem CID23005123
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-(3-formyl-4-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc(O)c(C=O)c1
InChIInChI=1S/C14H9NO2/c15-8-11-3-1-2-4-13(11)10-5-6-14(17)12(7-10)9-16/h1-7,9,17H
InChIKeyKRRSKADOVCJKBF-UHFFFAOYSA-N
XLogP2.74
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-formyl-4-hydroxyphenyl)benzonitrile?
The IUPAC name of 2-(3-formyl-4-hydroxyphenyl)benzonitrile (CID 23005123) is 2-(3-formyl-4-hydroxyphenyl)benzonitrile.
What is the SMILES notation for 2-(3-formyl-4-hydroxyphenyl)benzonitrile?
The canonical SMILES for 2-(3-formyl-4-hydroxyphenyl)benzonitrile is N#Cc1ccccc1-c1ccc(O)c(C=O)c1.
What is the InChIKey of 2-(3-formyl-4-hydroxyphenyl)benzonitrile?
The InChIKey is KRRSKADOVCJKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c15-8-11-3-1-2-4-13(11)10-5-6-14(17)12(7-10)9-16/h1-7,9,17H.
What are the key properties of 2-(3-formyl-4-hydroxyphenyl)benzonitrile?
2-(3-formyl-4-hydroxyphenyl)benzonitrile has a molecular weight of 223.23 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formyl-4-hydroxyphenyl)benzonitrile is sourced from PubChem (CID 23005123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).