2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol

C14H20FNO2S — CID 103595829

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCOc1ccc(CC(O)C2CSCCN2C)cc1F
InChIInChI=1S/C14H20FNO2S/c1-16-5-6-19-9-12(16)13(17)8-10-3-4-14(18-2)11(15)7-10/h3-4,7,12-13,17H,5-6,8-9H2,1-2H3
InChIKeyOAHLCOMEPUVRAS-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.78
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol

2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol (PubChem CID 103595829) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
PubChem CID103595829
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCOc1ccc(CC(O)C2CSCCN2C)cc1F
InChIInChI=1S/C14H20FNO2S/c1-16-5-6-19-9-12(16)13(17)8-10-3-4-14(18-2)11(15)7-10/h3-4,7,12-13,17H,5-6,8-9H2,1-2H3
InChIKeyOAHLCOMEPUVRAS-UHFFFAOYSA-N
XLogP1.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595773
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 103595709
2-(5-bromo-2-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595830
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444825
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
1-(3-fluoro-4-methoxyphenyl)-3-(thian-4-yl)propan-2-ol
CID 105084457
2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595632
2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210624
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446415
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol (CID 103595829) is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol is COc1ccc(CC(O)C2CSCCN2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The InChIKey is OAHLCOMEPUVRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-16-5-6-19-9-12(16)13(17)8-10-3-4-14(18-2)11(15)7-10/h3-4,7,12-13,17H,5-6,8-9H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol?
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol has a molecular weight of 285.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol is sourced from PubChem (CID 103595829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).