3-(4-fluorophenyl)-2-phenylpropanoic acid

C15H13FO2 — CID 3151587

IUPAC3-(4-fluorophenyl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H13FO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18)
InChIKeyLVJVEADPGHXUKQ-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.24
Rot. Bonds4

About 3-(4-fluorophenyl)-2-phenylpropanoic acid

3-(4-fluorophenyl)-2-phenylpropanoic acid (PubChem CID 3151587) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-phenylpropanoic acid
PubChem CID3151587
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name3-(4-fluorophenyl)-2-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H13FO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18)
InChIKeyLVJVEADPGHXUKQ-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-phenylpropanoic acid (CID 3151587) is 3-(4-fluorophenyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-phenylpropanoic acid is O=C(O)C(Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-phenylpropanoic acid?
The InChIKey is LVJVEADPGHXUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18).
What are the key properties of 3-(4-fluorophenyl)-2-phenylpropanoic acid?
3-(4-fluorophenyl)-2-phenylpropanoic acid has a molecular weight of 244.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 3151587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).