2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol

C17H25ClO2S — CID 116779678

IUPAC2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
SMILESCCOC1(C(O)CSc2ccccc2Cl)CCCC(C)C1
InChIInChI=1S/C17H25ClO2S/c1-3-20-17(10-6-7-13(2)11-17)16(19)12-21-15-9-5-4-8-14(15)18/h4-5,8-9,13,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyGAIYUWQTLZRSCG-UHFFFAOYSA-N
MW328.90 g/mol
LogP4.78
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol

2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol (PubChem CID 116779678) has the molecular formula C17H25ClO2S and a molecular weight of 328.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
PubChem CID116779678
Molecular FormulaC17H25ClO2S
Molecular Weight328.90 g/mol
Exact Mass328.13
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
SMILESCCOC1(C(O)CSc2ccccc2Cl)CCCC(C)C1
InChIInChI=1S/C17H25ClO2S/c1-3-20-17(10-6-7-13(2)11-17)16(19)12-21-15-9-5-4-8-14(15)18/h4-5,8-9,13,16,19H,3,6-7,10-12H2,1-2H3
InChIKeyGAIYUWQTLZRSCG-UHFFFAOYSA-N
XLogP4.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.90
LogP ≤ 54.78
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-methoxycyclohexyl)ethanol
CID 116779685
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271
2-(2-chloro-3-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755178
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768334
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol
CID 116779701
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol (CID 116779678) is 2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol is CCOC1(C(O)CSc2ccccc2Cl)CCCC(C)C1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
The InChIKey is GAIYUWQTLZRSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2S/c1-3-20-17(10-6-7-13(2)11-17)16(19)12-21-15-9-5-4-8-14(15)18/h4-5,8-9,13,16,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol?
2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol has a molecular weight of 328.90 g/mol, XLogP of 4.78, 6 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-ethoxy-3-methylcyclohexyl)ethanol is sourced from PubChem (CID 116779678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).