2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol

C17H25ClO2S — CID 116779701

IUPAC2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol
SMILESCCOC1(C(O)CSc2cccc(Cl)c2)CCC(C)CC1
InChIInChI=1S/C17H25ClO2S/c1-3-20-17(9-7-13(2)8-10-17)16(19)12-21-15-6-4-5-14(18)11-15/h4-6,11,13,16,19H,3,7-10,12H2,1-2H3
InChIKeyJAFTZPADLIEYPB-UHFFFAOYSA-N
MW328.90 g/mol
LogP4.78
Rot. Bonds6

About 2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol

2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol (PubChem CID 116779701) has the molecular formula C17H25ClO2S and a molecular weight of 328.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol
PubChem CID116779701
Molecular FormulaC17H25ClO2S
Molecular Weight328.90 g/mol
Exact Mass328.13
IUPAC Name2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol
SMILESCCOC1(C(O)CSc2cccc(Cl)c2)CCC(C)CC1
InChIInChI=1S/C17H25ClO2S/c1-3-20-17(9-7-13(2)8-10-17)16(19)12-21-15-6-4-5-14(18)11-15/h4-6,11,13,16,19H,3,7-10,12H2,1-2H3
InChIKeyJAFTZPADLIEYPB-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

(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
CID 116754822
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
CID 116779682
2-(2-chlorophenyl)sulfanyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116779678
1-(3-chlorophenyl)sulfanyl-3-ethoxy-3-methylbutan-2-ol
CID 116732128
1-(3-chlorophenyl)sulfanyl-3-ethyl-3-methoxypentan-2-ol
CID 116779702
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116767179
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol
CID 66148129

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol (CID 116779701) is 2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol is CCOC1(C(O)CSc2cccc(Cl)c2)CCC(C)CC1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol?
The InChIKey is JAFTZPADLIEYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2S/c1-3-20-17(9-7-13(2)8-10-17)16(19)12-21-15-6-4-5-14(18)11-15/h4-6,11,13,16,19H,3,7-10,12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol?
2-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-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-(3-chlorophenyl)sulfanyl-1-(1-ethoxy-4-methylcyclohexyl)ethanol is sourced from PubChem (CID 116779701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).