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

C12H16O3 — CID 117297447

IUPAC3-(2-ethyl-3-methoxyphenyl)propanoic acid
SMILESCCc1c(CCC(=O)O)cccc1OC
InChIInChI=1S/C12H16O3/c1-3-10-9(7-8-12(13)14)5-4-6-11(10)15-2/h4-6H,3,7-8H2,1-2H3,(H,13,14)
InChIKeySCICMXKPLJQQRO-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.27
Rot. Bonds5

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

3-(2-ethyl-3-methoxyphenyl)propanoic acid (PubChem CID 117297447) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-ethyl-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-3-methoxyphenyl)propanoic acid
PubChem CID117297447
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(2-ethyl-3-methoxyphenyl)propanoic acid
SMILESCCc1c(CCC(=O)O)cccc1OC
InChIInChI=1S/C12H16O3/c1-3-10-9(7-8-12(13)14)5-4-6-11(10)15-2/h4-6H,3,7-8H2,1-2H3,(H,13,14)
InChIKeySCICMXKPLJQQRO-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethyl-3-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

3-[2-(fluoromethyl)-6-methoxyphenyl]propanoic acid
CID 117302932
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
CID 117318250
3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
3-[3-methoxy-2-(propanoylamino)phenyl]propanoic acid
CID 68521040
4-(2-benzyl-3-methoxyphenyl)butanoic acid
CID 22324958
4-[2-methoxy-6-(methoxymethyl)phenyl]butanoic acid
CID 115006348
1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene
CID 142992772
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
2-(2-ethyl-3-methoxyphenyl)-2-oxoacetic acid
CID 67245601

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-ethyl-3-methoxyphenyl)propanoic acid (CID 117297447) is 3-(2-ethyl-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-ethyl-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-ethyl-3-methoxyphenyl)propanoic acid is CCc1c(CCC(=O)O)cccc1OC.
What is the InChIKey of 3-(2-ethyl-3-methoxyphenyl)propanoic acid?
The InChIKey is SCICMXKPLJQQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-10-9(7-8-12(13)14)5-4-6-11(10)15-2/h4-6H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-ethyl-3-methoxyphenyl)propanoic acid?
3-(2-ethyl-3-methoxyphenyl)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117297447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).