3-(3-carboxybenzoyl)benzoic acid

C15H10O5 — CID 754396

IUPAC3-(3-carboxybenzoyl)benzoic acid
SMILESO=C(O)c1cccc(C(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H10O5/c16-13(9-3-1-5-11(7-9)14(17)18)10-4-2-6-12(8-10)15(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKeyHVEAQFIZKONJJG-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.31
Rot. Bonds4

About 3-(3-carboxybenzoyl)benzoic acid

3-(3-carboxybenzoyl)benzoic acid (PubChem CID 754396) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-(3-carboxybenzoyl)benzoic acid.

Molecular Properties

Compound Name3-(3-carboxybenzoyl)benzoic acid
PubChem CID754396
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Name3-(3-carboxybenzoyl)benzoic acid
SMILESO=C(O)c1cccc(C(=O)c2cccc(C(=O)O)c2)c1
InChIInChI=1S/C15H10O5/c16-13(9-3-1-5-11(7-9)14(17)18)10-4-2-6-12(8-10)15(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKeyHVEAQFIZKONJJG-UHFFFAOYSA-N
XLogP2.31
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
3-(3-aminobenzoyl)benzoic acid
CID 18974175
benzene-1,3-dicarboxylic acid;bis(oxovanadium)
CID 175058982
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
3-(pyridine-4-carbonyl)benzoic acid
CID 82115219
benzene-1,3-dicarboxylic acid;dichlorotitanium
CID 22957310

Frequently Asked Questions

What is the IUPAC name of 3-(3-carboxybenzoyl)benzoic acid?
The IUPAC name of 3-(3-carboxybenzoyl)benzoic acid (CID 754396) is 3-(3-carboxybenzoyl)benzoic acid.
What is the SMILES notation for 3-(3-carboxybenzoyl)benzoic acid?
The canonical SMILES for 3-(3-carboxybenzoyl)benzoic acid is O=C(O)c1cccc(C(=O)c2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-(3-carboxybenzoyl)benzoic acid?
The InChIKey is HVEAQFIZKONJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c16-13(9-3-1-5-11(7-9)14(17)18)10-4-2-6-12(8-10)15(19)20/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 3-(3-carboxybenzoyl)benzoic acid?
3-(3-carboxybenzoyl)benzoic acid has a molecular weight of 270.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carboxybenzoyl)benzoic acid is sourced from PubChem (CID 754396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).