2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol

C15H23NO2S — CID 115666571

IUPAC2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol
SMILESCCC1CN(CC(O)c2cccc(OC)c2)CCS1
InChIInChI=1S/C15H23NO2S/c1-3-14-10-16(7-8-19-14)11-15(17)12-5-4-6-13(9-12)18-2/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3
InChIKeyOUWAASOWLDMPBM-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.56
Rot. Bonds5

About 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol

2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol (PubChem CID 115666571) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol
PubChem CID115666571
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol
SMILESCCC1CN(CC(O)c2cccc(OC)c2)CCS1
InChIInChI=1S/C15H23NO2S/c1-3-14-10-16(7-8-19-14)11-15(17)12-5-4-6-13(9-12)18-2/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3
InChIKeyOUWAASOWLDMPBM-UHFFFAOYSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol
CID 113246314
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 81134999
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
1-(3-methoxyphenyl)-2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanol
CID 111436470
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684103
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol (CID 115666571) is 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol is CCC1CN(CC(O)c2cccc(OC)c2)CCS1.
What is the InChIKey of 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol?
The InChIKey is OUWAASOWLDMPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-14-10-16(7-8-19-14)11-15(17)12-5-4-6-13(9-12)18-2/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol?
2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol has a molecular weight of 281.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 115666571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).