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

C15H14Cl2OS2 — CID 115782584

IUPAC2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H14Cl2OS2/c16-11-2-1-3-12(17)10(11)7-13(18)15-6-9-8-19-5-4-14(9)20-15/h1-3,6,13,18H,4-5,7-8H2
InChIKeyFHLYGTAJVHUFTA-UHFFFAOYSA-N
MW345.32 g/mol
LogP5.12
Rot. Bonds3

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

2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol (PubChem CID 115782584) has the molecular formula C15H14Cl2OS2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
PubChem CID115782584
Molecular FormulaC15H14Cl2OS2
Molecular Weight345.32 g/mol
Exact Mass343.99
IUPAC Name2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H14Cl2OS2/c16-11-2-1-3-12(17)10(11)7-13(18)15-6-9-8-19-5-4-14(9)20-15/h1-3,6,13,18H,4-5,7-8H2
InChIKeyFHLYGTAJVHUFTA-UHFFFAOYSA-N
XLogP5.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.32
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115785402
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol
CID 81261786
2-(2-bromophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 114977261
2-[1-chloro-2-(2-chlorophenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261787
2-(3-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 81261999
2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115779710
2-(2-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115786936
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanol
CID 115819117
2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 107312537
2-(3-bromo-5-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115822790
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol
CID 115791416
[2-(2,6-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105293121

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol (CID 115782584) is 2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol is OC(Cc1c(Cl)cccc1Cl)c1cc2c(s1)CCSC2.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
The InChIKey is FHLYGTAJVHUFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2OS2/c16-11-2-1-3-12(17)10(11)7-13(18)15-6-9-8-19-5-4-14(9)20-15/h1-3,6,13,18H,4-5,7-8H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol?
2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol has a molecular weight of 345.32 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol is sourced from PubChem (CID 115782584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).