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

C13H18O4S — CID 63098622

IUPAC2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid
SMILESCCOC(CCSc1ccccc1OC)C(=O)O
InChIInChI=1S/C13H18O4S/c1-3-17-11(13(14)15)8-9-18-12-7-5-4-6-10(12)16-2/h4-7,11H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyHOHYGIYEGUYAPM-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.67
Rot. Bonds8

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

2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid (PubChem CID 63098622) has the molecular formula C13H18O4S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid
PubChem CID63098622
Molecular FormulaC13H18O4S
Molecular Weight270.35 g/mol
Exact Mass270.09
IUPAC Name2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid
SMILESCCOC(CCSc1ccccc1OC)C(=O)O
InChIInChI=1S/C13H18O4S/c1-3-17-11(13(14)15)8-9-18-12-7-5-4-6-10(12)16-2/h4-7,11H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyHOHYGIYEGUYAPM-UHFFFAOYSA-N
XLogP2.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic 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-ethoxy-4-(4-fluorophenyl)sulfanylbutanoic acid
CID 63100133
2-ethoxy-4-(3-methylphenyl)sulfanylbutanoic acid
CID 63099476
1-(2,2-diethoxyethylsulfanyl)-2-methoxybenzene
CID 10106471
tert-butyl 3-(2-methoxyphenyl)sulfanylpropanoate
CID 113227654
2-ethoxy-4-(1-phenyltetrazol-5-yl)sulfanylbutanoic acid
CID 63098592
2-ethoxy-3-(2-fluorophenyl)sulfanylpropanoic acid
CID 63099095
4-(2-methoxyphenyl)sulfanyl-N-propylbutan-2-amine
CID 64628326
(E)-6-(2-methoxyphenyl)sulfanylhex-3-en-2-one
CID 19902761
3-ethoxy-1-(2-methoxyphenyl)hexan-2-one
CID 116707998
4-[2-(2-methoxyphenyl)sulfanylethoxy]benzoic acid
CID 20992099
2-ethoxy-3-phenylpropanoic acid
CID 54403311
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid?
The IUPAC name of 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid (CID 63098622) is 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid.
What is the SMILES notation for 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid?
The canonical SMILES for 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid is CCOC(CCSc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid?
The InChIKey is HOHYGIYEGUYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4S/c1-3-17-11(13(14)15)8-9-18-12-7-5-4-6-10(12)16-2/h4-7,11H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid?
2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid has a molecular weight of 270.35 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-methoxyphenyl)sulfanylbutanoic acid is sourced from PubChem (CID 63098622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).