2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid

C15H10O6 — CID 101121393

IUPAC2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccccc1-c1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C15H10O6/c16-13(17)9-5-2-1-4-8(9)12-10(14(18)19)6-3-7-11(12)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyNRCWATOAAVANNV-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid

2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid (PubChem CID 101121393) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
PubChem CID101121393
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1ccccc1-c1c(C(=O)O)cccc1C(=O)O
InChIInChI=1S/C15H10O6/c16-13(17)9-5-2-1-4-8(9)12-10(14(18)19)6-3-7-11(12)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyNRCWATOAAVANNV-UHFFFAOYSA-N
XLogP2.45
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-(2-carboxyphenyl)-3,4-dimethylbenzoic acid
CID 18692681
copper;bis(2-(2,3,4,5,6-pentafluorophenyl)benzoic acid);hydrochloride
CID 173026508
2-(2-carbamoyl-6-methylphenyl)benzoic acid
CID 170993072
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396
4-(2-carboxyphenyl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66647245
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
acetylene;2-phenylbenzoic acid
CID 67726329
3-formyl-2-(2-formylphenyl)benzoic acid
CID 87124248
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid (CID 101121393) is 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid is O=C(O)c1ccccc1-c1c(C(=O)O)cccc1C(=O)O.
What is the InChIKey of 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid?
The InChIKey is NRCWATOAAVANNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c16-13(17)9-5-2-1-4-8(9)12-10(14(18)19)6-3-7-11(12)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid?
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid has a molecular weight of 286.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 101121393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).