2-benzoyl-6-phenylbenzoic acid

C20H14O3 — CID 174388121

IUPAC2-benzoyl-6-phenylbenzoic acid
SMILESO=C(c1ccccc1)c1cccc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C20H14O3/c21-19(15-10-5-2-6-11-15)17-13-7-12-16(18(17)20(22)23)14-8-3-1-4-9-14/h1-13H,(H,22,23)
InChIKeyCCOJNJZVBDUZPO-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.28
Rot. Bonds4

About 2-benzoyl-6-phenylbenzoic acid

2-benzoyl-6-phenylbenzoic acid (PubChem CID 174388121) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-benzoyl-6-phenylbenzoic acid.

Molecular Properties

Compound Name2-benzoyl-6-phenylbenzoic acid
PubChem CID174388121
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name2-benzoyl-6-phenylbenzoic acid
SMILESO=C(c1ccccc1)c1cccc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C20H14O3/c21-19(15-10-5-2-6-11-15)17-13-7-12-16(18(17)20(22)23)14-8-3-1-4-9-14/h1-13H,(H,22,23)
InChIKeyCCOJNJZVBDUZPO-UHFFFAOYSA-N
XLogP4.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
3-phenylphthalic acid;dihydrobromide
CID 67683459
phenyl-(3-phenyl-2-sulfanylphenyl)methanone
CID 175169753
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
anthracene;3-phenylphthalic acid
CID 161382372
1-(2-benzoyl-6-pyridin-4-ylphenyl)ethanone
CID 159062825
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
CID 68746067
3-(4-carboxybenzoyl)-2,6-diphenylbenzoic acid
CID 54084972
3,4-dibenzoylphthalic acid
CID 22269446
2-formyl-6-phenylbenzoic acid
CID 18003803

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-6-phenylbenzoic acid?
The IUPAC name of 2-benzoyl-6-phenylbenzoic acid (CID 174388121) is 2-benzoyl-6-phenylbenzoic acid.
What is the SMILES notation for 2-benzoyl-6-phenylbenzoic acid?
The canonical SMILES for 2-benzoyl-6-phenylbenzoic acid is O=C(c1ccccc1)c1cccc(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 2-benzoyl-6-phenylbenzoic acid?
The InChIKey is CCOJNJZVBDUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c21-19(15-10-5-2-6-11-15)17-13-7-12-16(18(17)20(22)23)14-8-3-1-4-9-14/h1-13H,(H,22,23).
What are the key properties of 2-benzoyl-6-phenylbenzoic acid?
2-benzoyl-6-phenylbenzoic acid has a molecular weight of 302.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-6-phenylbenzoic acid is sourced from PubChem (CID 174388121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).