6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol

C17H20O2S2 — CID 115831352

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc3c(s2)CCSC3)cc1C
InChIInChI=1S/C17H20O2S2/c1-10-7-14(19-3)11(2)6-13(10)17(18)16-8-12-9-20-5-4-15(12)21-16/h6-8,17-18H,4-5,9H2,1-3H3
InChIKeyNVEFMKRMTQULOF-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.24
Rot. Bonds3

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol (PubChem CID 115831352) has the molecular formula C17H20O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol
PubChem CID115831352
Molecular FormulaC17H20O2S2
Molecular Weight320.48 g/mol
Exact Mass320.09
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol
SMILESCOc1cc(C)c(C(O)c2cc3c(s2)CCSC3)cc1C
InChIInChI=1S/C17H20O2S2/c1-10-7-14(19-3)11(2)6-13(10)17(18)16-8-12-9-20-5-4-15(12)21-16/h6-8,17-18H,4-5,9H2,1-3H3
InChIKeyNVEFMKRMTQULOF-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-3-methylphenyl)methanol
CID 81261763
(2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 81260584
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081513
(2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 81260871
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol
CID 115817820
[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312835
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanol
CID 115819117
(2-chloro-4,5-dimethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 115483657
2-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81260964
(5-chlorothiophen-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 113370055
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(2,4-dimethylphenyl)methanamine
CID 81261720
2-[chloro-(3,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81267138

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol (CID 115831352) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol is COc1cc(C)c(C(O)c2cc3c(s2)CCSC3)cc1C.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol?
The InChIKey is NVEFMKRMTQULOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2/c1-10-7-14(19-3)11(2)6-13(10)17(18)16-8-12-9-20-5-4-15(12)21-16/h6-8,17-18H,4-5,9H2,1-3H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol has a molecular weight of 320.48 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol is sourced from PubChem (CID 115831352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).