2-(4-cyanophenyl)benzoic acid

C14H9NO2 — CID 2757952

IUPAC2-(4-cyanophenyl)benzoic acid
SMILESN#Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C14H9NO2/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1-8H,(H,16,17)
InChIKeyKXKMLGZDXQJDLU-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.92
Rot. Bonds2

About 2-(4-cyanophenyl)benzoic acid

2-(4-cyanophenyl)benzoic acid (PubChem CID 2757952) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(4-cyanophenyl)benzoic acid.

Molecular Properties

Compound Name2-(4-cyanophenyl)benzoic acid
PubChem CID2757952
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-(4-cyanophenyl)benzoic acid
SMILESN#Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C14H9NO2/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1-8H,(H,16,17)
InChIKeyKXKMLGZDXQJDLU-UHFFFAOYSA-N
XLogP2.92
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)benzoic acid?
The IUPAC name of 2-(4-cyanophenyl)benzoic acid (CID 2757952) is 2-(4-cyanophenyl)benzoic acid.
What is the SMILES notation for 2-(4-cyanophenyl)benzoic acid?
The canonical SMILES for 2-(4-cyanophenyl)benzoic acid is N#Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-cyanophenyl)benzoic acid?
The InChIKey is KXKMLGZDXQJDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14(16)17/h1-8H,(H,16,17).
What are the key properties of 2-(4-cyanophenyl)benzoic acid?
2-(4-cyanophenyl)benzoic acid has a molecular weight of 223.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)benzoic acid is sourced from PubChem (CID 2757952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).