4-(3,4-dicarboxyphenyl)phthalic acid

C16H10O8 — CID 759394

IUPAC4-(3,4-dicarboxyphenyl)phthalic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O
InChIInChI=1S/C16H10O8/c17-13(18)9-3-1-7(5-11(9)15(21)22)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyLFBALUPVVFCEPA-UHFFFAOYSA-N
MW330.25 g/mol
LogP2.15
Rot. Bonds5

About 4-(3,4-dicarboxyphenyl)phthalic acid

4-(3,4-dicarboxyphenyl)phthalic acid (PubChem CID 759394) has the molecular formula C16H10O8 and a molecular weight of 330.25 g/mol. Its IUPAC name is 4-(3,4-dicarboxyphenyl)phthalic acid.

Molecular Properties

Compound Name4-(3,4-dicarboxyphenyl)phthalic acid
PubChem CID759394
Molecular FormulaC16H10O8
Molecular Weight330.25 g/mol
Exact Mass330.04
IUPAC Name4-(3,4-dicarboxyphenyl)phthalic acid
SMILESO=C(O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O
InChIInChI=1S/C16H10O8/c17-13(18)9-3-1-7(5-11(9)15(21)22)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyLFBALUPVVFCEPA-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

Analyze 4-(3,4-dicarboxyphenyl)phthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dicarboxyphenyl)phthalic acid?
The IUPAC name of 4-(3,4-dicarboxyphenyl)phthalic acid (CID 759394) is 4-(3,4-dicarboxyphenyl)phthalic acid.
What is the SMILES notation for 4-(3,4-dicarboxyphenyl)phthalic acid?
The canonical SMILES for 4-(3,4-dicarboxyphenyl)phthalic acid is O=C(O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O.
What is the InChIKey of 4-(3,4-dicarboxyphenyl)phthalic acid?
The InChIKey is LFBALUPVVFCEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O8/c17-13(18)9-3-1-7(5-11(9)15(21)22)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 4-(3,4-dicarboxyphenyl)phthalic acid?
4-(3,4-dicarboxyphenyl)phthalic 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 4-(3,4-dicarboxyphenyl)phthalic acid is sourced from PubChem (CID 759394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).