2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol

C13H17BrClNOS — CID 103595632

IUPAC2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCN1CCSCC1C(O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNOS/c1-16-4-5-18-8-12(16)13(17)6-9-2-3-10(14)7-11(9)15/h2-3,7,12-13,17H,4-6,8H2,1H3
InChIKeyGYOPKOQVVQWIHX-UHFFFAOYSA-N
MW350.71 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol

2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol (PubChem CID 103595632) has the molecular formula C13H17BrClNOS and a molecular weight of 350.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
PubChem CID103595632
Molecular FormulaC13H17BrClNOS
Molecular Weight350.71 g/mol
Exact Mass348.99
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
SMILESCN1CCSCC1C(O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNOS/c1-16-4-5-18-8-12(16)13(17)6-9-2-3-10(14)7-11(9)15/h2-3,7,12-13,17H,4-6,8H2,1H3
InChIKeyGYOPKOQVVQWIHX-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.71
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595830
2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 113471227
2-(3-bromo-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595773
2-(1-benzothiophen-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595606
2-(furan-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595628
1-(4-methylthiomorpholin-3-yl)-2-pyridin-3-ylethanol
CID 103595725
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595617
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446415
2-(2,3-dichlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 107309197
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595829
1-(4-methylthiomorpholin-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 103595709
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444804

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol (CID 103595632) is 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol is CN1CCSCC1C(O)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol?
The InChIKey is GYOPKOQVVQWIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNOS/c1-16-4-5-18-8-12(16)13(17)6-9-2-3-10(14)7-11(9)15/h2-3,7,12-13,17H,4-6,8H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol?
2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol has a molecular weight of 350.71 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol is sourced from PubChem (CID 103595632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).