2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid

C26H18O4 — CID 19788415

IUPAC2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C26H18O4/c27-24(20-13-7-8-14-21(20)26(29)30)19-15-22(17-9-3-1-4-10-17)25(28)23(16-19)18-11-5-2-6-12-18/h1-16,28H,(H,29,30)
InChIKeyBMDLIQDBULNPRI-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.66
Rot. Bonds5

About 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid

2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid (PubChem CID 19788415) has the molecular formula C26H18O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid
PubChem CID19788415
Molecular FormulaC26H18O4
Molecular Weight394.43 g/mol
Exact Mass394.12
IUPAC Name2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1
InChIInChI=1S/C26H18O4/c27-24(20-13-7-8-14-21(20)26(29)30)19-15-22(17-9-3-1-4-10-17)25(28)23(16-19)18-11-5-2-6-12-18/h1-16,28H,(H,29,30)
InChIKeyBMDLIQDBULNPRI-UHFFFAOYSA-N
XLogP5.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
2-benzoyl-6-phenylbenzoic acid
CID 174388121
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
3,6-dihydroxy-4-phenylphthalic acid
CID 175175774
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc
CID 58652419
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid?
The IUPAC name of 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid (CID 19788415) is 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid.
What is the SMILES notation for 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid?
The canonical SMILES for 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1.
What is the InChIKey of 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid?
The InChIKey is BMDLIQDBULNPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O4/c27-24(20-13-7-8-14-21(20)26(29)30)19-15-22(17-9-3-1-4-10-17)25(28)23(16-19)18-11-5-2-6-12-18/h1-16,28H,(H,29,30).
What are the key properties of 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid?
2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid has a molecular weight of 394.43 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3,5-diphenylbenzoyl)benzoic acid is sourced from PubChem (CID 19788415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).