4-(4-carboxyphenyl)benzoic acid

C14H10O4 — CID 13084

IUPAC4-(4-carboxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKeyNEQFBGHQPUXOFH-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.75
Rot. Bonds3

About 4-(4-carboxyphenyl)benzoic acid

4-(4-carboxyphenyl)benzoic acid (PubChem CID 13084) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-(4-carboxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-carboxyphenyl)benzoic acid
PubChem CID13084
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name4-(4-carboxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKeyNEQFBGHQPUXOFH-UHFFFAOYSA-N
XLogP2.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxyphenyl)benzoic acid?
The IUPAC name of 4-(4-carboxyphenyl)benzoic acid (CID 13084) is 4-(4-carboxyphenyl)benzoic acid.
What is the SMILES notation for 4-(4-carboxyphenyl)benzoic acid?
The canonical SMILES for 4-(4-carboxyphenyl)benzoic acid is O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-carboxyphenyl)benzoic acid?
The InChIKey is NEQFBGHQPUXOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 4-(4-carboxyphenyl)benzoic acid?
4-(4-carboxyphenyl)benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxyphenyl)benzoic acid is sourced from PubChem (CID 13084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).