2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol

C13H20O2S — CID 103165435

IUPAC2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCCOC1CC(CC(O)c2sccc2C)C1
InChIInChI=1S/C13H20O2S/c1-3-15-11-6-10(7-11)8-12(14)13-9(2)4-5-16-13/h4-5,10-12,14H,3,6-8H2,1-2H3
InChIKeyCABZNXCMDQCWIQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.30
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol

2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 103165435) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID103165435
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCCOC1CC(CC(O)c2sccc2C)C1
InChIInChI=1S/C13H20O2S/c1-3-15-11-6-10(7-11)8-12(14)13-9(2)4-5-16-13/h4-5,10-12,14H,3,6-8H2,1-2H3
InChIKeyCABZNXCMDQCWIQ-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol 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

1-(3-bromo-5-methylthiophen-2-yl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165479
[2-(3-ethoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 103170881
2-(3-ethoxycyclobutyl)-1-(4-propan-2-ylphenyl)ethanol
CID 103165426
1-(2,6-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103170312
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163244
1-(2,4-difluoro-5-methylphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165491
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
2-(3-ethoxycyclobutyl)-1-(2-methoxyphenyl)ethanol
CID 103169884
2-(3-ethoxycyclobutyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 103170158
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165377
2-(diethoxymethyl)-3-methylthiophene
CID 146004797

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol (CID 103165435) is 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol is CCOC1CC(CC(O)c2sccc2C)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is CABZNXCMDQCWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-3-15-11-6-10(7-11)8-12(14)13-9(2)4-5-16-13/h4-5,10-12,14H,3,6-8H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol?
2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 240.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 103165435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).