3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid

C15H10O7 — CID 23436693

IUPAC3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c(-c2ccc(O)cc2)c1C(=O)O
InChIInChI=1S/C15H10O7/c16-8-3-1-7(2-4-8)11-9(13(17)18)5-6-10(14(19)20)12(11)15(21)22/h1-6,16H,(H,17,18)(H,19,20)(H,21,22)
InChIKeyAFVIETRZNWLYID-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.15
Rot. Bonds4

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

3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid (PubChem CID 23436693) has the molecular formula C15H10O7 and a molecular weight of 302.24 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid
PubChem CID23436693
Molecular FormulaC15H10O7
Molecular Weight302.24 g/mol
Exact Mass302.04
IUPAC Name3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)c(-c2ccc(O)cc2)c1C(=O)O
InChIInChI=1S/C15H10O7/c16-8-3-1-7(2-4-8)11-9(13(17)18)5-6-10(14(19)20)12(11)15(21)22/h1-6,16H,(H,17,18)(H,19,20)(H,21,22)
InChIKeyAFVIETRZNWLYID-UHFFFAOYSA-N
XLogP2.15
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxyphenyl)phthalic acid
CID 45486596
4-methyl-2-(4-phenylphenyl)benzene-1,3-dicarboxylic acid
CID 150641904
benzene-1,2,3,4-tetracarboxylic acid;titanium
CID 162026487
benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173173883
CID 174724694
CID 174724694
4-cyano-3-phenylphthalic acid
CID 151383359
3-(3,4-dicarboxyphenyl)-4-phenylphthalic acid
CID 54120175
3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
CID 704860
3,4-dihydroxyphthalic acid;nickel
CID 156700318
bis(benzene-1,4-diol);carbonic acid
CID 68999082
3,4,5-tris(4-methylphenyl)phthalic acid
CID 19903031
2,4-dihydroxybenzoic acid
CID 1491

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid?
The IUPAC name of 3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid (CID 23436693) is 3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid is O=C(O)c1ccc(C(=O)O)c(-c2ccc(O)cc2)c1C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid?
The InChIKey is AFVIETRZNWLYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O7/c16-8-3-1-7(2-4-8)11-9(13(17)18)5-6-10(14(19)20)12(11)15(21)22/h1-6,16H,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid?
3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid has a molecular weight of 302.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)benzene-1,2,4-tricarboxylic acid is sourced from PubChem (CID 23436693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).