3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol

C9H9F3O3S — CID 170909713

IUPAC3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol
SMILESCOc1cc(O)c(SC(F)(F)F)c(OC)c1
InChIInChI=1S/C9H9F3O3S/c1-14-5-3-6(13)8(7(4-5)15-2)16-9(10,11)12/h3-4,13H,1-2H3
InChIKeySYUQFABNBQWUNO-UHFFFAOYSA-N
MW254.23 g/mol
LogP3.02
Rot. Bonds3

About 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol

3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol (PubChem CID 170909713) has the molecular formula C9H9F3O3S and a molecular weight of 254.23 g/mol. Its IUPAC name is 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol
PubChem CID170909713
Molecular FormulaC9H9F3O3S
Molecular Weight254.23 g/mol
Exact Mass254.02
IUPAC Name3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol
SMILESCOc1cc(O)c(SC(F)(F)F)c(OC)c1
InChIInChI=1S/C9H9F3O3S/c1-14-5-3-6(13)8(7(4-5)15-2)16-9(10,11)12/h3-4,13H,1-2H3
InChIKeySYUQFABNBQWUNO-UHFFFAOYSA-N
XLogP3.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-2-phenylsulfanylphenol
CID 11471007
2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-3,5-dimethoxyphenol
CID 171312435
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
3,5-dimethyl-2-(trifluoromethylsulfanyl)phenol
CID 130768093
2-[(1S)-1-amino-4,4,4-trifluorobutyl]-3,5-dimethoxyphenol
CID 171226671
4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
CID 14993626
2-(chloroamino)-3,5-dimethoxyphenol
CID 21018373
2-[4,6-bis(2-hydroxy-4,6-dimethoxyphenyl)-1,3,5-triazin-2-yl]-3,5-dimethoxyphenol
CID 136758978
2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171226643
2-[(1R)-1-amino-2,2-difluoroethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171242035
3,5-dimethoxy-2-nitrophenol
CID 10965507

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol?
The IUPAC name of 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol (CID 170909713) is 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol.
What is the SMILES notation for 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol?
The canonical SMILES for 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol is COc1cc(O)c(SC(F)(F)F)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol?
The InChIKey is SYUQFABNBQWUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3S/c1-14-5-3-6(13)8(7(4-5)15-2)16-9(10,11)12/h3-4,13H,1-2H3.
What are the key properties of 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol?
3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol has a molecular weight of 254.23 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-(trifluoromethylsulfanyl)phenol is sourced from PubChem (CID 170909713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).