(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid

C22H20O5 — CID 100551442

IUPAC(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
SMILESCOc1ccccc1O[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C22H20O5/c1-25-19-13-7-8-14-20(19)27-21(22(23)24)15-16-9-5-6-12-18(16)26-17-10-3-2-4-11-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyWLCFAXQKZKWGLY-OAQYLSRUSA-N
MW364.40 g/mol
LogP4.56
Rot. Bonds8

About (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid

(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid (PubChem CID 100551442) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
PubChem CID100551442
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
SMILESCOc1ccccc1O[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C22H20O5/c1-25-19-13-7-8-14-20(19)27-21(22(23)24)15-16-9-5-6-12-18(16)26-17-10-3-2-4-11-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyWLCFAXQKZKWGLY-OAQYLSRUSA-N
XLogP4.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100550251
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240973
2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 133241431
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133230900
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100550282
(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid (CID 100551442) is (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid is COc1ccccc1O[C@H](Cc1ccccc1Oc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid?
The InChIKey is WLCFAXQKZKWGLY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20O5/c1-25-19-13-7-8-14-20(19)27-21(22(23)24)15-16-9-5-6-12-18(16)26-17-10-3-2-4-11-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid?
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid has a molecular weight of 364.40 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid is sourced from PubChem (CID 100551442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).