3-benzoyloxy-4-phenylbenzoic acid

C20H14O4 — CID 19859975

IUPAC3-benzoyloxy-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)c(OC(=O)c2ccccc2)c1
InChIInChI=1S/C20H14O4/c21-19(22)16-11-12-17(14-7-3-1-4-8-14)18(13-16)24-20(23)15-9-5-2-6-10-15/h1-13H,(H,21,22)
InChIKeyQYEWFCXAIOSIFX-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.27
Rot. Bonds4

About 3-benzoyloxy-4-phenylbenzoic acid

3-benzoyloxy-4-phenylbenzoic acid (PubChem CID 19859975) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-benzoyloxy-4-phenylbenzoic acid.

Molecular Properties

Compound Name3-benzoyloxy-4-phenylbenzoic acid
PubChem CID19859975
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name3-benzoyloxy-4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)c(OC(=O)c2ccccc2)c1
InChIInChI=1S/C20H14O4/c21-19(22)16-11-12-17(14-7-3-1-4-8-14)18(13-16)24-20(23)15-9-5-2-6-10-15/h1-13H,(H,21,22)
InChIKeyQYEWFCXAIOSIFX-UHFFFAOYSA-N
XLogP4.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

3-formyloxy-4-phenylbenzoic acid
CID 88506410
3-(4-decan-4-yloxybenzoyl)oxy-4-phenylbenzoic acid
CID 22288037
4-phenyl-3-(trifluoromethylsulfonyloxy)benzoic acid
CID 91609871
(2-phenylphenyl) 4-ethoxybenzoate
CID 23011325
(3-octoxy-4-phenylphenyl) 4-heptoxybenzoate
CID 139630233
(2-benzoyloxy-5-tert-butyl-3-phenylphenyl) benzoate
CID 67425020
4-[2-(methoxymethoxy)-4-phenylphenyl]benzoic acid
CID 10616703
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
(2-phenylphenyl) 3-bromo-4-ethoxybenzoate
CID 23013390
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
3,4-dibenzoyloxy-5-methoxybenzoic acid
CID 90121898
4-(4-carboxybenzoyl)oxybenzene-1,3-dicarboxylic acid
CID 70551484

Frequently Asked Questions

What is the IUPAC name of 3-benzoyloxy-4-phenylbenzoic acid?
The IUPAC name of 3-benzoyloxy-4-phenylbenzoic acid (CID 19859975) is 3-benzoyloxy-4-phenylbenzoic acid.
What is the SMILES notation for 3-benzoyloxy-4-phenylbenzoic acid?
The canonical SMILES for 3-benzoyloxy-4-phenylbenzoic acid is O=C(O)c1ccc(-c2ccccc2)c(OC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzoyloxy-4-phenylbenzoic acid?
The InChIKey is QYEWFCXAIOSIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-19(22)16-11-12-17(14-7-3-1-4-8-14)18(13-16)24-20(23)15-9-5-2-6-10-15/h1-13H,(H,21,22).
What are the key properties of 3-benzoyloxy-4-phenylbenzoic acid?
3-benzoyloxy-4-phenylbenzoic acid has a molecular weight of 318.33 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyloxy-4-phenylbenzoic acid is sourced from PubChem (CID 19859975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).