5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid

C15H10O6 — CID 53218447

IUPAC5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H10O6/c16-13(17)9-5-8(6-10(7-9)14(18)19)11-3-1-2-4-12(11)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyCSMNZYXEUDCSNV-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.45
Rot. Bonds4

About 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid

5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid (PubChem CID 53218447) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
PubChem CID53218447
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H10O6/c16-13(17)9-5-8(6-10(7-9)14(18)19)11-3-1-2-4-12(11)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyCSMNZYXEUDCSNV-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-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
acetylene;2-phenylbenzoic acid
CID 67726329
2-(3-acetylphenyl)benzoic acid
CID 2756265
5-(2-cyanophenyl)benzene-1,3-dicarboxylic acid
CID 70203209
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
benzene;5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
CID 175078023
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
5-anthracen-1-ylbenzene-1,3-dicarboxylic acid
CID 175006474
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749

Frequently Asked Questions

What is the IUPAC name of 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid (CID 53218447) is 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid is O=C(O)c1cc(C(=O)O)cc(-c2ccccc2C(=O)O)c1.
What is the InChIKey of 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid?
The InChIKey is CSMNZYXEUDCSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c16-13(17)9-5-8(6-10(7-9)14(18)19)11-3-1-2-4-12(11)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid?
5-(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 5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 53218447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).