(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol

C15H15ClOS2 — CID 107562276

IUPAC(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
SMILESCc1ccc(C(O)c2cc3c(s2)CCSC3)cc1Cl
InChIInChI=1S/C15H15ClOS2/c1-9-2-3-10(6-12(9)16)15(17)14-7-11-8-18-5-4-13(11)19-14/h2-3,6-7,15,17H,4-5,8H2,1H3
InChIKeyJEHBIVBMHLGVKA-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.58
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol

(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol (PubChem CID 107562276) has the molecular formula C15H15ClOS2 and a molecular weight of 310.87 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
PubChem CID107562276
Molecular FormulaC15H15ClOS2
Molecular Weight310.87 g/mol
Exact Mass310.03
IUPAC Name(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
SMILESCc1ccc(C(O)c2cc3c(s2)CCSC3)cc1Cl
InChIInChI=1S/C15H15ClOS2/c1-9-2-3-10(6-12(9)16)15(17)14-7-11-8-18-5-4-13(11)19-14/h2-3,6-7,15,17H,4-5,8H2,1H3
InChIKeyJEHBIVBMHLGVKA-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 107562677
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-3-methylphenyl)methanol
CID 81261763
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol
CID 115817820
(2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 81260584
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81266343
(2-chloro-4,5-dimethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 115483657
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831352
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
CID 102834859
2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115782584
(3-chloro-4-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 107561932
(2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 81260871
2-(2-chloro-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115785402

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol (CID 107562276) is (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol is Cc1ccc(C(O)c2cc3c(s2)CCSC3)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
The InChIKey is JEHBIVBMHLGVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS2/c1-9-2-3-10(6-12(9)16)15(17)14-7-11-8-18-5-4-13(11)19-14/h2-3,6-7,15,17H,4-5,8H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol has a molecular weight of 310.87 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol is sourced from PubChem (CID 107562276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).