2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol

C15H14F2O2S — CID 112725157

IUPAC2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H14F2O2S/c1-19-11-4-2-3-10(7-11)15(18)9-20-12-5-6-13(16)14(17)8-12/h2-8,15,18H,9H2,1H3
InChIKeyNGLYVPUVSLNLJA-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.80
Rot. Bonds5

About 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol

2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol (PubChem CID 112725157) has the molecular formula C15H14F2O2S and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
PubChem CID112725157
Molecular FormulaC15H14F2O2S
Molecular Weight296.34 g/mol
Exact Mass296.07
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CSc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H14F2O2S/c1-19-11-4-2-3-10(7-11)15(18)9-20-12-5-6-13(16)14(17)8-12/h2-8,15,18H,9H2,1H3
InChIKeyNGLYVPUVSLNLJA-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134166
2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134479
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 81135235
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81136925
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81140967
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
2-(2-amino-5-bromophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81133461
2-(3,5-difluorophenoxy)-1-(3-methoxyphenyl)ethanol
CID 62783956
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 110885117
1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 113221262

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol (CID 112725157) is 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CSc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
The InChIKey is NGLYVPUVSLNLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2S/c1-19-11-4-2-3-10(7-11)15(18)9-20-12-5-6-13(16)14(17)8-12/h2-8,15,18H,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol?
2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol has a molecular weight of 296.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 112725157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).