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

C16H18O2S2 — CID 81261786

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2cc3c(s2)CCSC3)c1
InChIInChI=1S/C16H18O2S2/c1-18-13-4-2-3-11(7-13)8-14(17)16-9-12-10-19-6-5-15(12)20-16/h2-4,7,9,14,17H,5-6,8,10H2,1H3
InChIKeyIXRVFNOVQZIBFU-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.82
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol (PubChem CID 81261786) has the molecular formula C16H18O2S2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol
PubChem CID81261786
Molecular FormulaC16H18O2S2
Molecular Weight306.45 g/mol
Exact Mass306.07
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2cc3c(s2)CCSC3)c1
InChIInChI=1S/C16H18O2S2/c1-18-13-4-2-3-11(7-13)8-14(17)16-9-12-10-19-6-5-15(12)20-16/h2-4,7,9,14,17H,5-6,8,10H2,1H3
InChIKeyIXRVFNOVQZIBFU-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanol
CID 63016022
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanol
CID 115819117
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63016751
2-[1-chloro-2-(3-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63543173
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4-dimethylpentan-1-ol
CID 115791416
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81260976
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-3-methylphenyl)methanol
CID 81261763
2-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
CID 81266733
2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736
2-[(2-bromo-4-ethoxyphenyl)-chloromethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81267474
(3-methoxyphenyl)(113C)methanol
CID 11593446
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol (CID 81261786) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol is COc1cccc(CC(O)c2cc3c(s2)CCSC3)c1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol?
The InChIKey is IXRVFNOVQZIBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S2/c1-18-13-4-2-3-11(7-13)8-14(17)16-9-12-10-19-6-5-15(12)20-16/h2-4,7,9,14,17H,5-6,8,10H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol has a molecular weight of 306.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81261786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).