6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid

C16H10O8 — CID 66765387

IUPAC6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid
SMILESO=C(O)c1cccc(-c2cc(C(=O)O)cc(C(=O)O)c2C(=O)O)c1
InChIInChI=1S/C16H10O8/c17-13(18)8-3-1-2-7(4-8)10-5-9(14(19)20)6-11(15(21)22)12(10)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyQMUZPACNDHAHNH-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.15
Rot. Bonds5

About 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid

6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid (PubChem CID 66765387) has the molecular formula C16H10O8 and a molecular weight of 330.25 g/mol. Its IUPAC name is 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid
PubChem CID66765387
Molecular FormulaC16H10O8
Molecular Weight330.25 g/mol
Exact Mass330.04
IUPAC Name6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid
SMILESO=C(O)c1cccc(-c2cc(C(=O)O)cc(C(=O)O)c2C(=O)O)c1
InChIInChI=1S/C16H10O8/c17-13(18)8-3-1-2-7(4-8)10-5-9(14(19)20)6-11(15(21)22)12(10)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyQMUZPACNDHAHNH-UHFFFAOYSA-N
XLogP2.15
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid
CID 56633128
azulene-1,2,5,7-tetracarboxylic acid
CID 139786377
6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
CID 139636462
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(3-carboxyphenyl)-2,6-dimethylbenzoic acid
CID 67930218
3-(3-carboxyphenyl)pyridine-4-carboxylic acid
CID 53223171
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid
CID 162258844
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
2-(3-acetylphenyl)benzoic acid
CID 2756265

Frequently Asked Questions

What is the IUPAC name of 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid?
The IUPAC name of 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid (CID 66765387) is 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid.
What is the SMILES notation for 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid?
The canonical SMILES for 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid is O=C(O)c1cccc(-c2cc(C(=O)O)cc(C(=O)O)c2C(=O)O)c1.
What is the InChIKey of 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid?
The InChIKey is QMUZPACNDHAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O8/c17-13(18)8-3-1-2-7(4-8)10-5-9(14(19)20)6-11(15(21)22)12(10)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid?
6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid has a molecular weight of 330.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid is sourced from PubChem (CID 66765387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).