5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid

C17H15FO3 — CID 19036881

IUPAC5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)c1ccccc1-c1cccc(F)c1
InChIInChI=1S/C17H15FO3/c18-13-6-3-5-12(11-13)14-7-1-2-8-15(14)16(19)9-4-10-17(20)21/h1-3,5-8,11H,4,9-10H2,(H,20,21)
InChIKeyJRRGEGRJWFJTLN-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.93
Rot. Bonds6

About 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid

5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid (PubChem CID 19036881) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid
PubChem CID19036881
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)c1ccccc1-c1cccc(F)c1
InChIInChI=1S/C17H15FO3/c18-13-6-3-5-12(11-13)14-7-1-2-8-15(14)16(19)9-4-10-17(20)21/h1-3,5-8,11H,4,9-10H2,(H,20,21)
InChIKeyJRRGEGRJWFJTLN-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid (CID 19036881) is 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid is O=C(O)CCCC(=O)c1ccccc1-c1cccc(F)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid?
The InChIKey is JRRGEGRJWFJTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c18-13-6-3-5-12(11-13)14-7-1-2-8-15(14)16(19)9-4-10-17(20)21/h1-3,5-8,11H,4,9-10H2,(H,20,21).
What are the key properties of 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid?
5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid has a molecular weight of 286.30 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid is sourced from PubChem (CID 19036881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).