2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol

C15H14BrFOS2 — CID 115822790

IUPAC2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H14BrFOS2/c16-11-3-9(4-12(17)7-11)5-13(18)15-6-10-8-19-2-1-14(10)20-15/h3-4,6-7,13,18H,1-2,5,8H2
InChIKeyXOYBXJHLXMZYDB-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.72
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol (PubChem CID 115822790) has the molecular formula C15H14BrFOS2 and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
PubChem CID115822790
Molecular FormulaC15H14BrFOS2
Molecular Weight373.31 g/mol
Exact Mass371.97
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H14BrFOS2/c16-11-3-9(4-12(17)7-11)5-13(18)15-6-10-8-19-2-1-14(10)20-15/h3-4,6-7,13,18H,1-2,5,8H2
InChIKeyXOYBXJHLXMZYDB-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol with MolForge

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115786936
2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115779710
2-(2-chloro-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115785402
2-(2-bromophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 114977261
2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115782584
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol
CID 81261786
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanol
CID 115819117
2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105036782
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
2-(5-bromo-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 115839435
2-[chloro-(2,4,6-trifluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261326
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol (CID 115822790) is 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1cc2c(s1)CCSC2.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The InChIKey is XOYBXJHLXMZYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFOS2/c16-11-3-9(4-12(17)7-11)5-13(18)15-6-10-8-19-2-1-14(10)20-15/h3-4,6-7,13,18H,1-2,5,8H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol has a molecular weight of 373.31 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol is sourced from PubChem (CID 115822790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).