[8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol

C15H11Cl2FO2S — CID 59378219

IUPAC[8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol
SMILESOCC1CSc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H11Cl2FO2S/c16-11-2-1-3-12(17)14(11)10-4-8(18)5-13-15(10)20-9(6-19)7-21-13/h1-5,9,19H,6-7H2
InChIKeyIXKXFGKYVSITOK-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.64
Rot. Bonds2

About [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol

[8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol (PubChem CID 59378219) has the molecular formula C15H11Cl2FO2S and a molecular weight of 345.22 g/mol. Its IUPAC name is [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol.

Molecular Properties

Compound Name[8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol
PubChem CID59378219
Molecular FormulaC15H11Cl2FO2S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC Name[8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol
SMILESOCC1CSc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C15H11Cl2FO2S/c16-11-2-1-3-12(17)14(11)10-4-8(18)5-13-15(10)20-9(6-19)7-21-13/h1-5,9,19H,6-7H2
InChIKeyIXKXFGKYVSITOK-UHFFFAOYSA-N
XLogP4.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[8-(2-Chlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanamine
CID 24897915
C-[8-(2,6-Dichloro-phenyl)-6-fluoro-4-oxo-3,4-dihydro-2H-4lambda*4*-benzo[1,4]oxathiin-2-yl]-methylamine
CID 24897916
[8-(2,6-Dichlorophenyl)-6-fluoro-4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiin-2-yl]methanamine
CID 24897917
2-[(1R)-1-[(3S,4S)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]but-3-enoxy]ethanol
CID 58445293
4-((4-Chlorophenyl)thio)-5,8-difluorochroman-3-ol
CID 58445328
2-[(1S)-1-[(3S,4S)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]but-3-enoxy]ethanol
CID 58445385
[7-(2,6-Dichloro-phenyl)-5-fluoro-benzo[1,3]oxathiol-2-yl]methanol
CID 59378213
C-[8-(2,6-Dichloro-phenyl)-6-fluoro-2,3-dihydro-benzo[1,4]oxathiin-2-yl]-methylamine
CID 59378221
[8-(2-Chlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol
CID 59378223
2-(Azidomethyl)-8-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiine
CID 59378224
2',6'-Dichloro-5-fluoro-2-methoxy-3-methylsulfanyl-biphenyl
CID 59378225
Toluene-4-sulfonic acid 8-(2,6-dichloro-phenyl)-6-fluoro-2,3-dihydro-benzo[1,4]oxathiin-2-ylmethyl ester
CID 59378227

Frequently Asked Questions

What is the IUPAC name of [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol?
The IUPAC name of [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol (CID 59378219) is [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol.
What is the SMILES notation for [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol?
The canonical SMILES for [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol is OCC1CSc2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol?
The InChIKey is IXKXFGKYVSITOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2S/c16-11-2-1-3-12(17)14(11)10-4-8(18)5-13-15(10)20-9(6-19)7-21-13/h1-5,9,19H,6-7H2.
What are the key properties of [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol?
[8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol has a molecular weight of 345.22 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,6-dichlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzoxathiin-2-yl]methanol is sourced from PubChem (CID 59378219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).