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

C13H18O3 — CID 117318250

IUPAC3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
SMILESCCc1c(CC(C)C(=O)O)cccc1OC
InChIInChI=1S/C13H18O3/c1-4-11-10(8-9(2)13(14)15)6-5-7-12(11)16-3/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyAKIZPOGIGPFXHM-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.52
Rot. Bonds5

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

3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 117318250) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
PubChem CID117318250
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
SMILESCCc1c(CC(C)C(=O)O)cccc1OC
InChIInChI=1S/C13H18O3/c1-4-11-10(8-9(2)13(14)15)6-5-7-12(11)16-3/h5-7,9H,4,8H2,1-3H3,(H,14,15)
InChIKeyAKIZPOGIGPFXHM-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic 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

(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067
3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447
3-[4-[[2-(2,6-dimethoxyphenyl)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120540927
3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
CID 82618683
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
3-[3-(difluoromethyl)-2-methoxyphenyl]-2-methylpropanoic acid
CID 84704408
2-(2-ethyl-3-methoxyphenyl)-2-oxoacetic acid
CID 67245601
3-(2,4-difluoro-3,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117404338
3-(2-bromo-6-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 84813954
3-(2-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 117461801
3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117424467

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid (CID 117318250) is 3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid is CCc1c(CC(C)C(=O)O)cccc1OC.
What is the InChIKey of 3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is AKIZPOGIGPFXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-11-10(8-9(2)13(14)15)6-5-7-12(11)16-3/h5-7,9H,4,8H2,1-3H3,(H,14,15).
What are the key properties of 3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid?
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.52, 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)-2-methylpropanoic acid is sourced from PubChem (CID 117318250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).