(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid

C16H16O4 — CID 100542931

IUPAC(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
SMILESCOc1ccc(C[C@@H](Oc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H16O4/c1-19-13-9-7-12(8-10-13)11-15(16(17)18)20-14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyJKRJCJBNRSQLDJ-OAHLLOKOSA-N
MW272.30 g/mol
LogP2.77
Rot. Bonds6

About (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid

(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid (PubChem CID 100542931) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
PubChem CID100542931
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
SMILESCOc1ccc(C[C@@H](Oc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C16H16O4/c1-19-13-9-7-12(8-10-13)11-15(16(17)18)20-14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyJKRJCJBNRSQLDJ-OAHLLOKOSA-N
XLogP2.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid?
The IUPAC name of (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid (CID 100542931) is (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid.
What is the SMILES notation for (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid?
The canonical SMILES for (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid is COc1ccc(C[C@@H](Oc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid?
The InChIKey is JKRJCJBNRSQLDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-13-9-7-12(8-10-13)11-15(16(17)18)20-14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,17,18)/t15-/m1/s1.
What are the key properties of (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid?
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid is sourced from PubChem (CID 100542931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).