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

C15H14BrFOS2 — CID 115779710

IUPAC2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H14BrFOS2/c16-11-5-9(1-2-12(11)17)6-13(18)15-7-10-8-19-4-3-14(10)20-15/h1-2,5,7,13,18H,3-4,6,8H2
InChIKeyNHRWQTZIWKRKAH-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.72
Rot. Bonds3

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

2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol (PubChem CID 115779710) has the molecular formula C15H14BrFOS2 and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
PubChem CID115779710
Molecular FormulaC15H14BrFOS2
Molecular Weight373.31 g/mol
Exact Mass371.97
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
SMILESOC(Cc1ccc(F)c(Br)c1)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H14BrFOS2/c16-11-5-9(1-2-12(11)17)6-13(18)15-7-10-8-19-4-3-14(10)20-15/h1-2,5,7,13,18H,3-4,6,8H2
InChIKeyNHRWQTZIWKRKAH-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-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol with MolForge

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115779669
2-(2-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115786936
2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115822790
2-(2-bromophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 114977261
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol
CID 81261786
2-(2-chloro-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115785402
2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115782584
2-(5-bromo-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 115839435
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanol
CID 115819117
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol
CID 115791416
(2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 81260871

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol (CID 115779710) is 2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol is OC(Cc1ccc(F)c(Br)c1)c1cc2c(s1)CCSC2.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The InChIKey is NHRWQTZIWKRKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFOS2/c16-11-5-9(1-2-12(11)17)6-13(18)15-7-10-8-19-4-3-14(10)20-15/h1-2,5,7,13,18H,3-4,6,8H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
2-(3-bromo-4-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-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol is sourced from PubChem (CID 115779710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).