[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol

C10H11F3O3S — CID 68686622

IUPAC[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCOc1cc(CO)cc(SC(F)(F)F)c1OC
InChIInChI=1S/C10H11F3O3S/c1-15-7-3-6(5-14)4-8(9(7)16-2)17-10(11,12)13/h3-4,14H,5H2,1-2H3
InChIKeyOPOBZNOLTXCBFG-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.81
Rot. Bonds4

About [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol

[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 68686622) has the molecular formula C10H11F3O3S and a molecular weight of 268.26 g/mol. Its IUPAC name is [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID68686622
Molecular FormulaC10H11F3O3S
Molecular Weight268.26 g/mol
Exact Mass268.04
IUPAC Name[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCOc1cc(CO)cc(SC(F)(F)F)c1OC
InChIInChI=1S/C10H11F3O3S/c1-15-7-3-6(5-14)4-8(9(7)16-2)17-10(11,12)13/h3-4,14H,5H2,1-2H3
InChIKeyOPOBZNOLTXCBFG-UHFFFAOYSA-N
XLogP2.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]-N-methylethanamine
CID 169149528
[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol
CID 84691885
(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol
CID 15044964
[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
CID 171014426
[4-(hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 54470355
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
CID 45371684
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
CID 169149646
CID 169149646
1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene
CID 118807849

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol (CID 68686622) is [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol is COc1cc(CO)cc(SC(F)(F)F)c1OC.
What is the InChIKey of [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is OPOBZNOLTXCBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O3S/c1-15-7-3-6(5-14)4-8(9(7)16-2)17-10(11,12)13/h3-4,14H,5H2,1-2H3.
What are the key properties of [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol?
[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 268.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 68686622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).