4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid

C24H14O10 — CID 57485280

IUPAC4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid
SMILESO=C(O)c1ccc(C(=O)OC(=O)c2ccccc2C(=O)OC(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H14O10/c25-19(26)13-5-9-15(10-6-13)21(29)33-23(31)17-3-1-2-4-18(17)24(32)34-22(30)16-11-7-14(8-12-16)20(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyYVBVELZXKCALMG-UHFFFAOYSA-N
MW462.37 g/mol
LogP3.08
Rot. Bonds6

About 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid

4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid (PubChem CID 57485280) has the molecular formula C24H14O10 and a molecular weight of 462.37 g/mol. Its IUPAC name is 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid.

Molecular Properties

Compound Name4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid
PubChem CID57485280
Molecular FormulaC24H14O10
Molecular Weight462.37 g/mol
Exact Mass462.06
IUPAC Name4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid
SMILESO=C(O)c1ccc(C(=O)OC(=O)c2ccccc2C(=O)OC(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C24H14O10/c25-19(26)13-5-9-15(10-6-13)21(29)33-23(31)17-3-1-2-4-18(17)24(32)34-22(30)16-11-7-14(8-12-16)20(27)28/h1-12H,(H,25,26)(H,27,28)
InChIKeyYVBVELZXKCALMG-UHFFFAOYSA-N
XLogP3.08
TPSA161.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 174967065
5-benzoyloxycarbonylbenzene-1,2,4-tricarboxylic acid
CID 141440230
3-(4-carboxybenzoyl)oxycarbonylbenzoic acid
CID 174415332
3-[4-(3-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid
CID 57217599
dicarboxy benzene-1,2-dicarboxylate
CID 57208478
(4-tert-butylbenzoyl) 2-methylbenzoate
CID 175426227
4-[4-(4-carboxybenzoyl)oxy-4-oxobut-2-enoyl]oxycarbonylbenzoic acid
CID 57263438
4-(3-methoxycarbonylbenzoyl)oxycarbonylbenzoic acid
CID 175290504
CID 174739089
CID 174739089
benzoyl benzoate;methylperoxymethane
CID 88758305
benzoyl 2-chlorobenzoate;3-chlorophthalic acid
CID 174368233
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;terephthalic acid
CID 67578503

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid?
The IUPAC name of 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid (CID 57485280) is 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid.
What is the SMILES notation for 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid?
The canonical SMILES for 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid is O=C(O)c1ccc(C(=O)OC(=O)c2ccccc2C(=O)OC(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid?
The InChIKey is YVBVELZXKCALMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O10/c25-19(26)13-5-9-15(10-6-13)21(29)33-23(31)17-3-1-2-4-18(17)24(32)34-22(30)16-11-7-14(8-12-16)20(27)28/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid?
4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid has a molecular weight of 462.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid is sourced from PubChem (CID 57485280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).