2-(2-ethoxy-4-methoxyphenyl)propanoic acid

C12H16O4 — CID 117321879

IUPAC2-(2-ethoxy-4-methoxyphenyl)propanoic acid
SMILESCCOc1cc(OC)ccc1C(C)C(=O)O
InChIInChI=1S/C12H16O4/c1-4-16-11-7-9(15-3)5-6-10(11)8(2)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyDPVKNSUYBPAFDQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-ethoxy-4-methoxyphenyl)propanoic acid

2-(2-ethoxy-4-methoxyphenyl)propanoic acid (PubChem CID 117321879) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-ethoxy-4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethoxy-4-methoxyphenyl)propanoic acid
PubChem CID117321879
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-(2-ethoxy-4-methoxyphenyl)propanoic acid
SMILESCCOc1cc(OC)ccc1C(C)C(=O)O
InChIInChI=1S/C12H16O4/c1-4-16-11-7-9(15-3)5-6-10(11)8(2)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyDPVKNSUYBPAFDQ-UHFFFAOYSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethoxy-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-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
CID 117323079
3-amino-2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117350484
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
2-[amino-(2,4-dimethoxyphenyl)methyl]butanoic acid
CID 116945062
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
3-[1-(2,4-dimethoxyphenyl)ethyl-ethylamino]-2-methylpropanoic acid
CID 65062094
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 82000377
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(2-ethoxy-4-methoxyphenyl)propanoic acid (CID 117321879) is 2-(2-ethoxy-4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-ethoxy-4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-ethoxy-4-methoxyphenyl)propanoic acid is CCOc1cc(OC)ccc1C(C)C(=O)O.
What is the InChIKey of 2-(2-ethoxy-4-methoxyphenyl)propanoic acid?
The InChIKey is DPVKNSUYBPAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-16-11-7-9(15-3)5-6-10(11)8(2)12(13)14/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-ethoxy-4-methoxyphenyl)propanoic acid?
2-(2-ethoxy-4-methoxyphenyl)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117321879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).