2-(4-phenoxybenzoyl)benzoic acid

C20H14O4 — CID 746519

IUPAC2-(4-phenoxybenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H14O4/c21-19(17-8-4-5-9-18(17)20(22)23)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H,(H,22,23)
InChIKeyDIGYASCXPKODLJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-phenoxybenzoyl)benzoic acid

2-(4-phenoxybenzoyl)benzoic acid (PubChem CID 746519) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-(4-phenoxybenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(4-phenoxybenzoyl)benzoic acid
PubChem CID746519
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name2-(4-phenoxybenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H14O4/c21-19(17-8-4-5-9-18(17)20(22)23)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H,(H,22,23)
InChIKeyDIGYASCXPKODLJ-UHFFFAOYSA-N
XLogP4.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxybenzoyl)benzoic acid?
The IUPAC name of 2-(4-phenoxybenzoyl)benzoic acid (CID 746519) is 2-(4-phenoxybenzoyl)benzoic acid.
What is the SMILES notation for 2-(4-phenoxybenzoyl)benzoic acid?
The canonical SMILES for 2-(4-phenoxybenzoyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxybenzoyl)benzoic acid?
The InChIKey is DIGYASCXPKODLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c21-19(17-8-4-5-9-18(17)20(22)23)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H,(H,22,23).
What are the key properties of 2-(4-phenoxybenzoyl)benzoic acid?
2-(4-phenoxybenzoyl)benzoic acid has a molecular weight of 318.33 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxybenzoyl)benzoic acid is sourced from PubChem (CID 746519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).