2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol

C11H14F2O3S — CID 116841207

IUPAC2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol
SMILESCOc1cc(C(F)(F)CO)c(OC)cc1SC
InChIInChI=1S/C11H14F2O3S/c1-15-8-5-10(17-3)9(16-2)4-7(8)11(12,13)6-14/h4-5,14H,6H2,1-3H3
InChIKeyUMOVXRBGJDYVRT-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.51
Rot. Bonds5

About 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol

2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol (PubChem CID 116841207) has the molecular formula C11H14F2O3S and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol
PubChem CID116841207
Molecular FormulaC11H14F2O3S
Molecular Weight264.29 g/mol
Exact Mass264.06
IUPAC Name2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol
SMILESCOc1cc(C(F)(F)CO)c(OC)cc1SC
InChIInChI=1S/C11H14F2O3S/c1-15-8-5-10(17-3)9(16-2)4-7(8)11(12,13)6-14/h4-5,14H,6H2,1-3H3
InChIKeyUMOVXRBGJDYVRT-UHFFFAOYSA-N
XLogP2.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
2,2-difluoro-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 105426244
CID 169149318
CID 169149318
2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117353825
3-amino-2-(2,5-dimethoxy-4-methylsulfanylphenyl)propan-1-ol
CID 116835417
1-bromo-2-methoxy-5-methylsulfanyl-4-(trifluoromethyl)benzene
CID 166108119
2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
CID 105424355
N'-(2,5-dimethoxy-4-methylsulfanylphenyl)methanediamine
CID 115225488
2-amino-1-(2,5-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 117360537
CID 169149349
CID 169149349
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
CID 117303270

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol (CID 116841207) is 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol is COc1cc(C(F)(F)CO)c(OC)cc1SC.
What is the InChIKey of 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol?
The InChIKey is UMOVXRBGJDYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3S/c1-15-8-5-10(17-3)9(16-2)4-7(8)11(12,13)6-14/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol?
2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol has a molecular weight of 264.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-methylsulfanylphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 116841207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).