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

C15H14F2OS2 — CID 81260584

IUPAC(2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
SMILESCc1cc(C(O)c2cc3c(s2)CCSC3)c(F)cc1F
InChIInChI=1S/C15H14F2OS2/c1-8-4-10(12(17)6-11(8)16)15(18)14-5-9-7-19-3-2-13(9)20-14/h4-6,15,18H,2-3,7H2,1H3
InChIKeyWRIMVBPMKPQRDD-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.21
Rot. Bonds2

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

(2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol (PubChem CID 81260584) has the molecular formula C15H14F2OS2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
PubChem CID81260584
Molecular FormulaC15H14F2OS2
Molecular Weight312.41 g/mol
Exact Mass312.05
IUPAC Name(2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
SMILESCc1cc(C(O)c2cc3c(s2)CCSC3)c(F)cc1F
InChIInChI=1S/C15H14F2OS2/c1-8-4-10(12(17)6-11(8)16)15(18)14-5-9-7-19-3-2-13(9)20-14/h4-6,15,18H,2-3,7H2,1H3
InChIKeyWRIMVBPMKPQRDD-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran
CID 81261332
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831352
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methyl-3-pyridinyl)methanol
CID 115817820
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81266372
(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 107562276
(2,5-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 61099599
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-methoxy-3-methylphenyl)methanol
CID 81261763
(2-bromo-4-methoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 81260871
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81261981
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102834844
2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 79730614

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol (CID 81260584) is (2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol is Cc1cc(C(O)c2cc3c(s2)CCSC3)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
The InChIKey is WRIMVBPMKPQRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2OS2/c1-8-4-10(12(17)6-11(8)16)15(18)14-5-9-7-19-3-2-13(9)20-14/h4-6,15,18H,2-3,7H2,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol?
(2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol has a molecular weight of 312.41 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol is sourced from PubChem (CID 81260584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).