1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol

C14H12F2OS — CID 55238714

IUPAC1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1ccccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2OS/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-9,17H,1H3
InChIKeyPIVQXBXUDSBVSE-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.17
Rot. Bonds3

About 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol

1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol (PubChem CID 55238714) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
PubChem CID55238714
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
SMILESCC(O)c1ccccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2OS/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-9,17H,1H3
InChIKeyPIVQXBXUDSBVSE-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol 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

(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
1-[2-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814608
(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
[2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 63812967
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029
1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine
CID 63818458
(1R)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951725
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238711
(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol (CID 55238714) is 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol is CC(O)c1ccccc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol?
The InChIKey is PIVQXBXUDSBVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS/c1-9(17)11-4-2-3-5-14(11)18-10-6-7-12(15)13(16)8-10/h2-9,17H,1H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol?
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol has a molecular weight of 266.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55238714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).