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

C15H15BrO2S2 — CID 81260871

IUPAC(2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
SMILESCOc1ccc(C(O)c2cc3c(s2)CCSC3)c(Br)c1
InChIInChI=1S/C15H15BrO2S2/c1-18-10-2-3-11(12(16)7-10)15(17)14-6-9-8-19-5-4-13(9)20-14/h2-3,6-7,15,17H,4-5,8H2,1H3
InChIKeyNZQPKFBHKFCZOY-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.39
Rot. Bonds3

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

(2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol (PubChem CID 81260871) has the molecular formula C15H15BrO2S2 and a molecular weight of 371.32 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
PubChem CID81260871
Molecular FormulaC15H15BrO2S2
Molecular Weight371.32 g/mol
Exact Mass369.97
IUPAC Name(2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
SMILESCOc1ccc(C(O)c2cc3c(s2)CCSC3)c(Br)c1
InChIInChI=1S/C15H15BrO2S2/c1-18-10-2-3-11(12(16)7-10)15(17)14-6-9-8-19-5-4-13(9)20-14/h2-3,6-7,15,17H,4-5,8H2,1H3
InChIKeyNZQPKFBHKFCZOY-UHFFFAOYSA-N
XLogP4.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-4-ethoxyphenyl)-chloromethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81267474
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831352
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(3-methoxyphenyl)ethanol
CID 81261786
2-[1-bromo-2-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261249
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
(5-bromo-4-fluoro-2-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 103394321
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanol
CID 115819117
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 115835447
(4-bromo-1-ethylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 115834814
2-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81260964
2-(3-bromo-4-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115779710

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol (CID 81260871) is (2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol is COc1ccc(C(O)c2cc3c(s2)CCSC3)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
The InChIKey is NZQPKFBHKFCZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2S2/c1-18-10-2-3-11(12(16)7-10)15(17)14-6-9-8-19-5-4-13(9)20-14/h2-3,6-7,15,17H,4-5,8H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
(2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol has a molecular weight of 371.32 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol is sourced from PubChem (CID 81260871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).