3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid

C22H20O4 — CID 133241025

IUPAC3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESCOc1ccc(CC(Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1
InChIInChI=1S/C22H20O4/c1-25-19-11-7-16(8-12-19)15-21(22(23)24)26-20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-14,21H,15H2,1H3,(H,23,24)
InChIKeyGUZDSYSODSAMPE-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.44
Rot. Bonds7

About 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid

3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid (PubChem CID 133241025) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
PubChem CID133241025
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESCOc1ccc(CC(Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1
InChIInChI=1S/C22H20O4/c1-25-19-11-7-16(8-12-19)15-21(22(23)24)26-20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-14,21H,15H2,1H3,(H,23,24)
InChIKeyGUZDSYSODSAMPE-UHFFFAOYSA-N
XLogP4.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
2-[4-(3-methylphenyl)phenoxy]-3-phenylpropanoic acid
CID 71544681
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
2-methoxy-3-[4-[4-(4-phenylphenoxy)butoxy]phenyl]propanoic acid
CID 18443550
(2S)-3-(2,6-dimethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100527919

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid (CID 133241025) is 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid is COc1ccc(CC(Oc2ccc(-c3ccccc3)cc2)C(=O)O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid?
The InChIKey is GUZDSYSODSAMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-25-19-11-7-16(8-12-19)15-21(22(23)24)26-20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-14,21H,15H2,1H3,(H,23,24).
What are the key properties of 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid?
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid has a molecular weight of 348.40 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid is sourced from PubChem (CID 133241025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).