5-benzoylbenzene-1,2,3,4-tetracarboxylic acid

C17H10O9 — CID 19877064

IUPAC5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C17H10O9/c18-13(7-4-2-1-3-5-7)8-6-9(14(19)20)11(16(23)24)12(17(25)26)10(8)15(21)22/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyJVDABLPLJMFQPE-UHFFFAOYSA-N
MW358.26 g/mol
LogP1.71
Rot. Bonds6

About 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid

5-benzoylbenzene-1,2,3,4-tetracarboxylic acid (PubChem CID 19877064) has the molecular formula C17H10O9 and a molecular weight of 358.26 g/mol. Its IUPAC name is 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
PubChem CID19877064
Molecular FormulaC17H10O9
Molecular Weight358.26 g/mol
Exact Mass358.03
IUPAC Name5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1cc(C(=O)c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C17H10O9/c18-13(7-4-2-1-3-5-7)8-6-9(14(19)20)11(16(23)24)12(17(25)26)10(8)15(21)22/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
InChIKeyJVDABLPLJMFQPE-UHFFFAOYSA-N
XLogP1.71
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride
CID 173228711
3,4-dibenzoylphthalic acid
CID 22269446
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl(phenyl)methanone
CID 19106285
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
diphenylmethanone
CID 3102
2-benzoyl-5-(dimethylamino)benzoic acid
CID 19812381
4-amino-2-benzoylbenzoic acid
CID 21494601

Frequently Asked Questions

What is the IUPAC name of 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid (CID 19877064) is 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid is O=C(O)c1cc(C(=O)c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid?
The InChIKey is JVDABLPLJMFQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O9/c18-13(7-4-2-1-3-5-7)8-6-9(14(19)20)11(16(23)24)12(17(25)26)10(8)15(21)22/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid?
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid has a molecular weight of 358.26 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoylbenzene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 19877064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).