2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol

C15H21ClO2S — CID 116779685

IUPAC2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol
SMILESCOC1(C(O)CSc2ccccc2Cl)CCCCC1
InChIInChI=1S/C15H21ClO2S/c1-18-15(9-5-2-6-10-15)14(17)11-19-13-8-4-3-7-12(13)16/h3-4,7-8,14,17H,2,5-6,9-11H2,1H3
InChIKeyFFAYLBDXWMPUGL-UHFFFAOYSA-N
MW300.85 g/mol
LogP4.14
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol

2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol (PubChem CID 116779685) has the molecular formula C15H21ClO2S and a molecular weight of 300.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol
PubChem CID116779685
Molecular FormulaC15H21ClO2S
Molecular Weight300.85 g/mol
Exact Mass300.10
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol
SMILESCOC1(C(O)CSc2ccccc2Cl)CCCCC1
InChIInChI=1S/C15H21ClO2S/c1-18-15(9-5-2-6-10-15)14(17)11-19-13-8-4-3-7-12(13)16/h3-4,7-8,14,17H,2,5-6,9-11H2,1H3
InChIKeyFFAYLBDXWMPUGL-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
CID 116779682
2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116779678
2-(2,3-dichlorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 107308285
2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755966
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
1-(1-methoxycycloheptyl)-3-phenylpropan-1-ol
CID 116755787
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
2-(2-chlorophenyl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769828
2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol
CID 66154112
1-(1-methoxycyclobutyl)-2-phenylethanol
CID 116710482
1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
CID 66152395
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol (CID 116779685) is 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol is COC1(C(O)CSc2ccccc2Cl)CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol?
The InChIKey is FFAYLBDXWMPUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2S/c1-18-15(9-5-2-6-10-15)14(17)11-19-13-8-4-3-7-12(13)16/h3-4,7-8,14,17H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol?
2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol has a molecular weight of 300.85 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol is sourced from PubChem (CID 116779685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).