(2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol

C13H12F2OS — CID 82823282

IUPAC(2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCc1cscc1C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H12F2OS/c1-7-3-4-10(14)11(12(7)15)13(16)9-6-17-5-8(9)2/h3-6,13,16H,1-2H3
InChIKeyYRWKWANZYYZYDD-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.72
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol

(2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol (PubChem CID 82823282) has the molecular formula C13H12F2OS and a molecular weight of 254.30 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol
PubChem CID82823282
Molecular FormulaC13H12F2OS
Molecular Weight254.30 g/mol
Exact Mass254.06
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol
SMILESCc1cscc1C(O)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H12F2OS/c1-7-3-4-10(14)11(12(7)15)13(16)9-6-17-5-8(9)2/h3-6,13,16H,1-2H3
InChIKeyYRWKWANZYYZYDD-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 82819933
(2,4-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816626
(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 107985811
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808123
(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816406
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
CID 170819048
(2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol
CID 105121731
cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol
CID 82815650

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol (CID 82823282) is (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol is Cc1cscc1C(O)c1c(F)ccc(C)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol?
The InChIKey is YRWKWANZYYZYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2OS/c1-7-3-4-10(14)11(12(7)15)13(16)9-6-17-5-8(9)2/h3-6,13,16H,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol?
(2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol has a molecular weight of 254.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol is sourced from PubChem (CID 82823282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).