(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid

C16H15FO3 — CID 42051191

IUPAC(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1[C@@H](Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C16H15FO3/c1-20-15-5-3-2-4-13(15)14(16(18)19)10-11-6-8-12(17)9-7-11/h2-9,14H,10H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyKTCCEYALKPVVCD-CQSZACIVSA-N
MW274.29 g/mol
LogP3.25
Rot. Bonds5

About (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid

(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid (PubChem CID 42051191) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
PubChem CID42051191
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1[C@@H](Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C16H15FO3/c1-20-15-5-3-2-4-13(15)14(16(18)19)10-11-6-8-12(17)9-7-11/h2-9,14H,10H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyKTCCEYALKPVVCD-CQSZACIVSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82095196
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
2-(2-methoxyphenyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 83953446
3-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83950546
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83955199
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
3-(3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 82140408
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 83955681
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574
2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid
CID 79439245

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid?
The IUPAC name of (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid (CID 42051191) is (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid is COc1ccccc1[C@@H](Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid?
The InChIKey is KTCCEYALKPVVCD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15FO3/c1-20-15-5-3-2-4-13(15)14(16(18)19)10-11-6-8-12(17)9-7-11/h2-9,14H,10H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid?
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 42051191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).