2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid

C17H18O5 — CID 133240977

IUPAC2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(Oc1ccccc1OC)C(=O)O
InChIInChI=1S/C17H18O5/c1-20-13-8-4-3-7-12(13)11-16(17(18)19)22-15-10-6-5-9-14(15)21-2/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyDHJDRWZACFKFOY-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.78
Rot. Bonds7

About 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid

2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid (PubChem CID 133240977) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
PubChem CID133240977
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1CC(Oc1ccccc1OC)C(=O)O
InChIInChI=1S/C17H18O5/c1-20-13-8-4-3-7-12(13)11-16(17(18)19)22-15-10-6-5-9-14(15)21-2/h3-10,16H,11H2,1-2H3,(H,18,19)
InChIKeyDHJDRWZACFKFOY-UHFFFAOYSA-N
XLogP2.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenoxy)-3-(2-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

(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240973
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
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
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100550251
2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 133241387
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid (CID 133240977) is 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid is COc1ccccc1CC(Oc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid?
The InChIKey is DHJDRWZACFKFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-13-8-4-3-7-12(13)11-16(17(18)19)22-15-10-6-5-9-14(15)21-2/h3-10,16H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid?
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 133240977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).