2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid

C28H18O5 — CID 118469532

IUPAC2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid
SMILESO=C(C(=O)c1ccc(-c2ccccc2C(=O)O)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H18O5/c29-25(18-9-3-1-4-10-18)24-17-20(21-13-7-8-14-23(21)28(32)33)15-16-22(24)27(31)26(30)19-11-5-2-6-12-19/h1-17H,(H,32,33)
InChIKeyLZAZPJKPRIOKIS-UHFFFAOYSA-N
MW434.45 g/mol
LogP5.35
Rot. Bonds7

About 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid

2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid (PubChem CID 118469532) has the molecular formula C28H18O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid
PubChem CID118469532
Molecular FormulaC28H18O5
Molecular Weight434.45 g/mol
Exact Mass434.12
IUPAC Name2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid
SMILESO=C(C(=O)c1ccc(-c2ccccc2C(=O)O)cc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H18O5/c29-25(18-9-3-1-4-10-18)24-17-20(21-13-7-8-14-23(21)28(32)33)15-16-22(24)27(31)26(30)19-11-5-2-6-12-19/h1-17H,(H,32,33)
InChIKeyLZAZPJKPRIOKIS-UHFFFAOYSA-N
XLogP5.35
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-[3,4-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 154122846
2-(3-acetylphenyl)benzoic acid
CID 2756265
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
5-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 53218447
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid?
The IUPAC name of 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid (CID 118469532) is 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid?
The canonical SMILES for 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid is O=C(C(=O)c1ccc(-c2ccccc2C(=O)O)cc1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid?
The InChIKey is LZAZPJKPRIOKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18O5/c29-25(18-9-3-1-4-10-18)24-17-20(21-13-7-8-14-23(21)28(32)33)15-16-22(24)27(31)26(30)19-11-5-2-6-12-19/h1-17H,(H,32,33).
What are the key properties of 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid?
2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid has a molecular weight of 434.45 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzoyl-4-(2-oxo-2-phenylacetyl)phenyl]benzoic acid is sourced from PubChem (CID 118469532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).