3,4-dibenzoylphthalic acid

C22H14O6 — CID 22269446

IUPAC3,4-dibenzoylphthalic acid
SMILESO=C(O)c1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C22H14O6/c23-19(13-7-3-1-4-8-13)15-11-12-16(21(25)26)18(22(27)28)17(15)20(24)14-9-5-2-6-10-14/h1-12H,(H,25,26)(H,27,28)
InChIKeyQEFQRVULZCREQK-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.55
Rot. Bonds6

About 3,4-dibenzoylphthalic acid

3,4-dibenzoylphthalic acid (PubChem CID 22269446) has the molecular formula C22H14O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 3,4-dibenzoylphthalic acid.

Molecular Properties

Compound Name3,4-dibenzoylphthalic acid
PubChem CID22269446
Molecular FormulaC22H14O6
Molecular Weight374.35 g/mol
Exact Mass374.08
IUPAC Name3,4-dibenzoylphthalic acid
SMILESO=C(O)c1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C(=O)O
InChIInChI=1S/C22H14O6/c23-19(13-7-3-1-4-8-13)15-11-12-16(21(25)26)18(22(27)28)17(15)20(24)14-9-5-2-6-10-14/h1-12H,(H,25,26)(H,27,28)
InChIKeyQEFQRVULZCREQK-UHFFFAOYSA-N
XLogP3.55
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride
CID 173228711
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
benzene-1,2,3,4-tetracarboxylic acid;titanium
CID 162026487
benzene-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173173883
2-benzoyl-6-phenylbenzoic acid
CID 174388121
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
2-benzoyl-9-oxofluorene-1-carboxylic acid
CID 165349284
2,3-dibenzoylbenzaldehyde
CID 54496315
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of 3,4-dibenzoylphthalic acid?
The IUPAC name of 3,4-dibenzoylphthalic acid (CID 22269446) is 3,4-dibenzoylphthalic acid.
What is the SMILES notation for 3,4-dibenzoylphthalic acid?
The canonical SMILES for 3,4-dibenzoylphthalic acid is O=C(O)c1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C(=O)O.
What is the InChIKey of 3,4-dibenzoylphthalic acid?
The InChIKey is QEFQRVULZCREQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O6/c23-19(13-7-3-1-4-8-13)15-11-12-16(21(25)26)18(22(27)28)17(15)20(24)14-9-5-2-6-10-14/h1-12H,(H,25,26)(H,27,28).
What are the key properties of 3,4-dibenzoylphthalic acid?
3,4-dibenzoylphthalic acid has a molecular weight of 374.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibenzoylphthalic acid is sourced from PubChem (CID 22269446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).