2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid

C22H20O5 — CID 133241102

IUPAC2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
SMILESCOc1ccccc1OC(Cc1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H20O5/c1-25-19-9-5-6-10-20(19)27-21(22(23)24)15-16-11-13-18(14-12-16)26-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,23,24)
InChIKeyXAZFTVVTSLRXGQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.56
Rot. Bonds8

About 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid

2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid (PubChem CID 133241102) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
PubChem CID133241102
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
SMILESCOc1ccccc1OC(Cc1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H20O5/c1-25-19-9-5-6-10-20(19)27-21(22(23)24)15-16-11-13-18(14-12-16)26-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,23,24)
InChIKeyXAZFTVVTSLRXGQ-UHFFFAOYSA-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

(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2S)-2-(3,4-dimethylphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544971
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100550251
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 3025998
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid?
The IUPAC name of 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid (CID 133241102) is 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid is COc1ccccc1OC(Cc1ccc(Oc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid?
The InChIKey is XAZFTVVTSLRXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-25-19-9-5-6-10-20(19)27-21(22(23)24)15-16-11-13-18(14-12-16)26-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,23,24).
What are the key properties of 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid?
2-(2-methoxyphenoxy)-3-(4-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 2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid is sourced from PubChem (CID 133241102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).