2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol

C15H14F2O2S — CID 11572951

IUPAC2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol
SMILESCOc1ccc(C(O)C(F)(F)Sc2ccccc2)cc1
InChIInChI=1S/C15H14F2O2S/c1-19-12-9-7-11(8-10-12)14(18)15(16,17)20-13-5-3-2-4-6-13/h2-10,14,18H,1H3
InChIKeyGQYKJVOJCMMREK-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.11
Rot. Bonds5

About 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol

2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol (PubChem CID 11572951) has the molecular formula C15H14F2O2S and a molecular weight of 296.34 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol
PubChem CID11572951
Molecular FormulaC15H14F2O2S
Molecular Weight296.34 g/mol
Exact Mass296.07
IUPAC Name2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol
SMILESCOc1ccc(C(O)C(F)(F)Sc2ccccc2)cc1
InChIInChI=1S/C15H14F2O2S/c1-19-12-9-7-11(8-10-12)14(18)15(16,17)20-13-5-3-2-4-6-13/h2-10,14,18H,1H3
InChIKeyGQYKJVOJCMMREK-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
CID 11638185
1-(2,2-difluoro-2-phenylsulfanylethyl)-4-methoxybenzene
CID 132608190
1-[1,1-bis(phenylsulfanyl)ethyl]-4-methoxybenzene
CID 102387106
[1,1-difluoro-2-hydroxy-2-(4-methoxyphenyl)ethyl] pyrrolidine-1-carbodithioate
CID 132565595
2-methoxy-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 12658876
S-tert-butyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)propanethioate
CID 10780819
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
2-ethyl-1-(4-methoxyphenyl)butane-1,2-diol
CID 103449306
3,3,3-trifluoro-1-(4-methoxyphenyl)-2-phenylpropan-1-one
CID 54202264
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol?
The IUPAC name of 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol (CID 11572951) is 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol.
What is the SMILES notation for 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol?
The canonical SMILES for 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol is COc1ccc(C(O)C(F)(F)Sc2ccccc2)cc1.
What is the InChIKey of 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol?
The InChIKey is GQYKJVOJCMMREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2S/c1-19-12-9-7-11(8-10-12)14(18)15(16,17)20-13-5-3-2-4-6-13/h2-10,14,18H,1H3.
What are the key properties of 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol?
2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol has a molecular weight of 296.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-methoxyphenyl)-2-phenylsulfanylethanol is sourced from PubChem (CID 11572951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).