2,5-bis(2-carboxyphenyl)terephthalic acid

C22H14O8 — CID 15619214

IUPAC2,5-bis(2-carboxyphenyl)terephthalic acid
SMILESO=C(O)c1ccccc1-c1cc(C(=O)O)c(-c2ccccc2C(=O)O)cc1C(=O)O
InChIInChI=1S/C22H14O8/c23-19(24)13-7-3-1-5-11(13)15-9-18(22(29)30)16(10-17(15)21(27)28)12-6-2-4-8-14(12)20(25)26/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyUSDKJQCMSLOXRG-UHFFFAOYSA-N
MW406.35 g/mol
LogP3.81
Rot. Bonds6

About 2,5-bis(2-carboxyphenyl)terephthalic acid

2,5-bis(2-carboxyphenyl)terephthalic acid (PubChem CID 15619214) has the molecular formula C22H14O8 and a molecular weight of 406.35 g/mol. Its IUPAC name is 2,5-bis(2-carboxyphenyl)terephthalic acid.

Molecular Properties

Compound Name2,5-bis(2-carboxyphenyl)terephthalic acid
PubChem CID15619214
Molecular FormulaC22H14O8
Molecular Weight406.35 g/mol
Exact Mass406.07
IUPAC Name2,5-bis(2-carboxyphenyl)terephthalic acid
SMILESO=C(O)c1ccccc1-c1cc(C(=O)O)c(-c2ccccc2C(=O)O)cc1C(=O)O
InChIInChI=1S/C22H14O8/c23-19(24)13-7-3-1-5-11(13)15-9-18(22(29)30)16(10-17(15)21(27)28)12-6-2-4-8-14(12)20(25)26/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyUSDKJQCMSLOXRG-UHFFFAOYSA-N
XLogP3.81
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,5-bis(2-carboxyphenyl)terephthalic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
2-[2-(2-carboxyphenyl)-4-chlorophenyl]benzoic acid
CID 90412939
acetylene;2-phenylbenzoic acid
CID 67726329
2-(2,4-dibromophenyl)benzoic acid
CID 175057498
5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 53218447

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-carboxyphenyl)terephthalic acid?
The IUPAC name of 2,5-bis(2-carboxyphenyl)terephthalic acid (CID 15619214) is 2,5-bis(2-carboxyphenyl)terephthalic acid.
What is the SMILES notation for 2,5-bis(2-carboxyphenyl)terephthalic acid?
The canonical SMILES for 2,5-bis(2-carboxyphenyl)terephthalic acid is O=C(O)c1ccccc1-c1cc(C(=O)O)c(-c2ccccc2C(=O)O)cc1C(=O)O.
What is the InChIKey of 2,5-bis(2-carboxyphenyl)terephthalic acid?
The InChIKey is USDKJQCMSLOXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O8/c23-19(24)13-7-3-1-5-11(13)15-9-18(22(29)30)16(10-17(15)21(27)28)12-6-2-4-8-14(12)20(25)26/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30).
What are the key properties of 2,5-bis(2-carboxyphenyl)terephthalic acid?
2,5-bis(2-carboxyphenyl)terephthalic acid has a molecular weight of 406.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-carboxyphenyl)terephthalic acid is sourced from PubChem (CID 15619214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).