4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid

C21H14O6 — CID 102275934

IUPAC4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccccc3C(=O)O)ccc2C(=O)O)cc1
InChIInChI=1S/C21H14O6/c22-19(23)13-7-5-12(6-8-13)18-11-14(9-10-17(18)21(26)27)15-3-1-2-4-16(15)20(24)25/h1-11H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyYRXDCHRIBSPPBR-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.12
Rot. Bonds5

About 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid

4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid (PubChem CID 102275934) has the molecular formula C21H14O6 and a molecular weight of 362.34 g/mol. Its IUPAC name is 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid.

Molecular Properties

Compound Name4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
PubChem CID102275934
Molecular FormulaC21H14O6
Molecular Weight362.34 g/mol
Exact Mass362.08
IUPAC Name4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccccc3C(=O)O)ccc2C(=O)O)cc1
InChIInChI=1S/C21H14O6/c22-19(23)13-7-5-12(6-8-13)18-11-14(9-10-17(18)21(26)27)15-3-1-2-4-16(15)20(24)25/h1-11H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyYRXDCHRIBSPPBR-UHFFFAOYSA-N
XLogP4.12
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
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CID 53218447
2-(2-phenylphenyl)terephthalic acid
CID 67851740
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
acetylene;2-phenylbenzoic acid
CID 67726329
2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid
CID 118469532
2-(4-phosphanylphenyl)benzoic acid
CID 58612433
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432
2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid
CID 69497360
benzoic acid;2-phenylbenzamide
CID 70205361

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid?
The IUPAC name of 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid (CID 102275934) is 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid.
What is the SMILES notation for 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid?
The canonical SMILES for 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid is O=C(O)c1ccc(-c2cc(-c3ccccc3C(=O)O)ccc2C(=O)O)cc1.
What is the InChIKey of 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid?
The InChIKey is YRXDCHRIBSPPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O6/c22-19(23)13-7-5-12(6-8-13)18-11-14(9-10-17(18)21(26)27)15-3-1-2-4-16(15)20(24)25/h1-11H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid?
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid has a molecular weight of 362.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid is sourced from PubChem (CID 102275934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).