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

C15H13FO2 — CID 795470

IUPAC(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
SMILESO=C(O)[C@H](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)/t14-/m1/s1
InChIKeyLVJVEADPGHXUKQ-CQSZACIVSA-N
MW244.27 g/mol
LogP3.24
Rot. Bonds4

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

(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid (PubChem CID 795470) has the molecular formula C15H13FO2 and a molecular weight of 244.27 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
PubChem CID795470
Molecular FormulaC15H13FO2
Molecular Weight244.27 g/mol
Exact Mass244.09
IUPAC Name(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
SMILESO=C(O)[C@H](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)/t14-/m1/s1
InChIKeyLVJVEADPGHXUKQ-CQSZACIVSA-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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Related Compounds

(2S)-2,3-diphenylpropanoic acid
CID 737125
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
4-[(2S)-2-carboxy-2-phenylethyl]-N-hydroxybenzeneamine oxide
CID 163124302
(2R)-3-[4-[hydroxy(oxido)amino]phenyl]-2-phenylpropanoic acid
CID 163124301
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid?
The IUPAC name of (2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid (CID 795470) is (2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid is O=C(O)[C@H](Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid?
The InChIKey is LVJVEADPGHXUKQ-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid?
(2R)-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 (2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid is sourced from PubChem (CID 795470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).