4-(3-cyanophenyl)benzoic acid

C14H9NO2 — CID 2757951

IUPAC4-(3-cyanophenyl)benzoic acid
SMILESN#Cc1cccc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H9NO2/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-8H,(H,16,17)
InChIKeyITRBFYPHDCHMCY-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.92
Rot. Bonds2

About 4-(3-cyanophenyl)benzoic acid

4-(3-cyanophenyl)benzoic acid (PubChem CID 2757951) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(3-cyanophenyl)benzoic acid.

Molecular Properties

Compound Name4-(3-cyanophenyl)benzoic acid
PubChem CID2757951
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name4-(3-cyanophenyl)benzoic acid
SMILESN#Cc1cccc(-c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C14H9NO2/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-8H,(H,16,17)
InChIKeyITRBFYPHDCHMCY-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 4-(3-cyanophenyl)benzoic acid?
The IUPAC name of 4-(3-cyanophenyl)benzoic acid (CID 2757951) is 4-(3-cyanophenyl)benzoic acid.
What is the SMILES notation for 4-(3-cyanophenyl)benzoic acid?
The canonical SMILES for 4-(3-cyanophenyl)benzoic acid is N#Cc1cccc(-c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-(3-cyanophenyl)benzoic acid?
The InChIKey is ITRBFYPHDCHMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-8H,(H,16,17).
What are the key properties of 4-(3-cyanophenyl)benzoic acid?
4-(3-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 4-(3-cyanophenyl)benzoic acid is sourced from PubChem (CID 2757951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).