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

C13H20OS — CID 102829334

IUPAC2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
SMILESCc1sccc1C(O)CC1CCCCC1
InChIInChI=1S/C13H20OS/c1-10-12(7-8-15-10)13(14)9-11-5-3-2-4-6-11/h7-8,11,13-14H,2-6,9H2,1H3
InChIKeyYGOHJAMFRLNUGX-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.06
Rot. Bonds3

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

2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol (PubChem CID 102829334) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
PubChem CID102829334
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
SMILESCc1sccc1C(O)CC1CCCCC1
InChIInChI=1S/C13H20OS/c1-10-12(7-8-15-10)13(14)9-11-5-3-2-4-6-11/h7-8,11,13-14H,2-6,9H2,1H3
InChIKeyYGOHJAMFRLNUGX-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
CID 102831550
1-(1-benzothiophen-7-yl)-2-cyclopentylethanol
CID 115827369
2-cyclohexyl-1-(3-methoxythiophen-2-yl)ethanol
CID 115786210
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
2-cyclopentyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 62608273
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol
CID 102842439
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanol
CID 115802549
(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol
CID 102831356

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol?
The IUPAC name of 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol (CID 102829334) is 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol?
The canonical SMILES for 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol is Cc1sccc1C(O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol?
The InChIKey is YGOHJAMFRLNUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-10-12(7-8-15-10)13(14)9-11-5-3-2-4-6-11/h7-8,11,13-14H,2-6,9H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol?
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol has a molecular weight of 224.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol is sourced from PubChem (CID 102829334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).