3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid

C23H22O5 — CID 20986100

IUPAC3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(Oc2ccc(CC(C(=O)O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H22O5/c1-26-18-9-5-17(6-10-18)22(23(24)25)15-16-3-7-20(8-4-16)28-21-13-11-19(27-2)12-14-21/h3-14,22H,15H2,1-2H3,(H,24,25)
InChIKeyUDBPBITUKYETMD-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.91
Rot. Bonds8

About 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid

3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid (PubChem CID 20986100) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
PubChem CID20986100
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(Oc2ccc(CC(C(=O)O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C23H22O5/c1-26-18-9-5-17(6-10-18)22(23(24)25)15-16-3-7-20(8-4-16)28-21-13-11-19(27-2)12-14-21/h3-14,22H,15H2,1-2H3,(H,24,25)
InChIKeyUDBPBITUKYETMD-UHFFFAOYSA-N
XLogP4.91
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid
CID 22686452
2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
CID 83950889
3-[4-(4-bromophenoxy)phenyl]-2-phenylpropanoic acid
CID 20984736
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
2-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoic acid
CID 82140726
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
1-bromo-4-(4-bromophenyl)-3-(4-methoxyphenyl)butan-2-one
CID 86650847
3-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82140730
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid (CID 20986100) is 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid is COc1ccc(Oc2ccc(CC(C(=O)O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid?
The InChIKey is UDBPBITUKYETMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c1-26-18-9-5-17(6-10-18)22(23(24)25)15-16-3-7-20(8-4-16)28-21-13-11-19(27-2)12-14-21/h3-14,22H,15H2,1-2H3,(H,24,25).
What are the key properties of 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid?
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid has a molecular weight of 378.42 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 20986100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).