(4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol

C12H15ClFNOS — CID 103595542

IUPAC(4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCN1CCSCC1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNOS/c1-15-4-5-17-7-11(15)12(16)9-3-2-8(13)6-10(9)14/h2-3,6,11-12,16H,4-5,7H2,1H3
InChIKeyRCUNIWPPFMFFQU-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.56
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol

(4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol (PubChem CID 103595542) has the molecular formula C12H15ClFNOS and a molecular weight of 275.78 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
PubChem CID103595542
Molecular FormulaC12H15ClFNOS
Molecular Weight275.78 g/mol
Exact Mass275.05
IUPAC Name(4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCN1CCSCC1C(O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNOS/c1-15-4-5-17-7-11(15)12(16)9-3-2-8(13)6-10(9)14/h2-3,6,11-12,16H,4-5,7H2,1H3
InChIKeyRCUNIWPPFMFFQU-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propan-1-ol
CID 13322478
1-(2-Chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol
CID 49762916
4-(4-Chlorophenyl)-1-[3-(4-fluorophenyl)sulfanyl-2-hydroxypropyl]piperidin-4-ol
CID 21545563
1-(4-Chlorophenyl)-2-[4-(4-fluorophenyl)-2-methylpiperidin-1-yl]ethanol
CID 67738355
(S)-(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
CID 68673731
(3-chloro-5-fluorophenyl)-[(2S)-1-prop-2-enylpiperidin-2-yl]methanol
CID 68673732
1-[2-Hydroxy-2-(4-chlorophenyl)ethyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 13282074
(1S)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol
CID 51709014
(1R)-1-(2-chloro-6-fluorophenyl)-2-thiomorpholin-4-ylethanol
CID 51709016
1-(2-Fluorophenyl)-2-thiomorpholin-4-ylethanol
CID 53520337
1-(4-Chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 62773932
1-(4-Fluorophenyl)-3-(3-methylthiomorpholin-4-yl)propan-1-ol
CID 64052603

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol (CID 103595542) is (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol is CN1CCSCC1C(O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol?
The InChIKey is RCUNIWPPFMFFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNOS/c1-15-4-5-17-7-11(15)12(16)9-3-2-8(13)6-10(9)14/h2-3,6,11-12,16H,4-5,7H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol?
(4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol has a molecular weight of 275.78 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanol is sourced from PubChem (CID 103595542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).