5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid

C17H15FO3 — CID 19982758

IUPAC5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(C(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H15FO3/c18-14-8-6-12(7-9-14)10-16(19)15(11-17(20)21)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,20,21)
InChIKeyFYJBLZNHFOHDOE-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.20
Rot. Bonds6

About 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid

5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid (PubChem CID 19982758) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid
PubChem CID19982758
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(C(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H15FO3/c18-14-8-6-12(7-9-14)10-16(19)15(11-17(20)21)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,20,21)
InChIKeyFYJBLZNHFOHDOE-UHFFFAOYSA-N
XLogP3.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
4-oxo-3-phenyl-5-sulfanylpentanoic acid
CID 57219313
2-phenylbutanedioic acid
CID 161009404
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
europium;tris(2-phenylbutanedioic acid)
CID 156846982
(3S)-5-bromo-1,3-diphenylpentan-2-one
CID 6932716
4-O-benzyl 1-O-[(4-fluorophenyl)methyl] 2-phenylbutanedioate
CID 142746278
(3S)-4-nitro-1,3-diphenylbutan-2-one
CID 163572422
(2R,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 99849385
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 55657332
4-amino-1-(4-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 107889994

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid (CID 19982758) is 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid is O=C(O)CC(C(=O)Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid?
The InChIKey is FYJBLZNHFOHDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c18-14-8-6-12(7-9-14)10-16(19)15(11-17(20)21)13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid?
5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid has a molecular weight of 286.30 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 19982758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).