(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid

C16H16O4 — CID 100524279

IUPAC(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
SMILESCOc1cccc(O[C@H](Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-19-13-8-5-9-14(11-13)20-15(16(17)18)10-12-6-3-2-4-7-12/h2-9,11,15H,10H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyRANKQVJRGYLDCW-OAHLLOKOSA-N
MW272.30 g/mol
LogP2.77
Rot. Bonds6

About (2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid

(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid (PubChem CID 100524279) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
PubChem CID100524279
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
SMILESCOc1cccc(O[C@H](Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C16H16O4/c1-19-13-8-5-9-14(11-13)20-15(16(17)18)10-12-6-3-2-4-7-12/h2-9,11,15H,10H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyRANKQVJRGYLDCW-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

2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546
2-(3-methoxyphenoxy)-3-(3-nitrophenyl)propanoic acid
CID 133241275
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid
CID 100534593
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
CID 133241017

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid (CID 100524279) is (2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid is COc1cccc(O[C@H](Cc2ccccc2)C(=O)O)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid?
The InChIKey is RANKQVJRGYLDCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-13-8-5-9-14(11-13)20-15(16(17)18)10-12-6-3-2-4-7-12/h2-9,11,15H,10H2,1H3,(H,17,18)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid?
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic 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)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid is sourced from PubChem (CID 100524279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).