2-[4-(4-phenoxybenzoyl)phenyl]acetic acid

C21H16O4 — CID 11695657

IUPAC2-[4-(4-phenoxybenzoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H16O4/c22-20(23)14-15-6-8-16(9-7-15)21(24)17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-13H,14H2,(H,22,23)
InChIKeyVRBHQDUOTOPSLA-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid

2-[4-(4-phenoxybenzoyl)phenyl]acetic acid (PubChem CID 11695657) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-phenoxybenzoyl)phenyl]acetic acid
PubChem CID11695657
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name2-[4-(4-phenoxybenzoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H16O4/c22-20(23)14-15-6-8-16(9-7-15)21(24)17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-13H,14H2,(H,22,23)
InChIKeyVRBHQDUOTOPSLA-UHFFFAOYSA-N
XLogP4.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid (CID 11695657) is 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid is O=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid?
The InChIKey is VRBHQDUOTOPSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c22-20(23)14-15-6-8-16(9-7-15)21(24)17-10-12-19(13-11-17)25-18-4-2-1-3-5-18/h1-13H,14H2,(H,22,23).
What are the key properties of 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid?
2-[4-(4-phenoxybenzoyl)phenyl]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-phenoxybenzoyl)phenyl]acetic acid is sourced from PubChem (CID 11695657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).