1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol

C15H22O2S — CID 14227217

IUPAC1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol
SMILESCOC(Sc1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C15H22O2S/c1-17-15(18-13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h3,6-7,10-12,14-16H,2,4-5,8-9H2,1H3
InChIKeyMWQRWGXOBCUYGD-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.69
Rot. Bonds5

About 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol

1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol (PubChem CID 14227217) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol
PubChem CID14227217
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol
SMILESCOC(Sc1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C15H22O2S/c1-17-15(18-13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h3,6-7,10-12,14-16H,2,4-5,8-9H2,1H3
InChIKeyMWQRWGXOBCUYGD-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol 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

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-propan-2-ylphenyl)sulfanyloxane-3,4,5-triol
CID 172461518
1-(Phenylsulfanyl)-2-octanol
CID 11276474
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclohexan-1-ol
CID 12922227
4-[Methoxy(phenylsulfanyl)methyl]oxan-4-ol
CID 10800955
4-[Methoxy(phenylsulfanyl)methyl]thian-4-ol
CID 10802014
1-(1-Phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10956055
(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol
CID 11064924
1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol?
The IUPAC name of 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol (CID 14227217) is 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol.
What is the SMILES notation for 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol?
The canonical SMILES for 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol is COC(Sc1ccccc1)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol?
The InChIKey is MWQRWGXOBCUYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-17-15(18-13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h3,6-7,10-12,14-16H,2,4-5,8-9H2,1H3.
What are the key properties of 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol?
1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol has a molecular weight of 266.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methoxy-2-phenylsulfanylethanol is sourced from PubChem (CID 14227217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).