2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid

C21H15FO4 — CID 11530398

IUPAC2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C21H15FO4/c22-19-12-14(13-20(23)24)6-11-18(19)21(25)15-7-9-17(10-8-15)26-16-4-2-1-3-5-16/h1-12H,13H2,(H,23,24)
InChIKeyDXGWDHUXZJQMIN-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.48
Rot. Bonds6

About 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid

2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid (PubChem CID 11530398) has the molecular formula C21H15FO4 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid
PubChem CID11530398
Molecular FormulaC21H15FO4
Molecular Weight350.35 g/mol
Exact Mass350.10
IUPAC Name2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)c(F)c1
InChIInChI=1S/C21H15FO4/c22-19-12-14(13-20(23)24)6-11-18(19)21(25)15-7-9-17(10-8-15)26-16-4-2-1-3-5-16/h1-12H,13H2,(H,23,24)
InChIKeyDXGWDHUXZJQMIN-UHFFFAOYSA-N
XLogP4.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid (CID 11530398) is 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid is O=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccccc3)cc2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid?
The InChIKey is DXGWDHUXZJQMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FO4/c22-19-12-14(13-20(23)24)6-11-18(19)21(25)15-7-9-17(10-8-15)26-16-4-2-1-3-5-16/h1-12H,13H2,(H,23,24).
What are the key properties of 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid?
2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid has a molecular weight of 350.35 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(4-phenoxybenzoyl)phenyl]acetic acid is sourced from PubChem (CID 11530398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).