[2-(3,4-difluorophenyl)sulfanylphenyl]methanol

C13H10F2OS — CID 63812967

IUPAC[2-(3,4-difluorophenyl)sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F2OS/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2
InChIKeyOLCOPABPMZFXMX-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.61
Rot. Bonds3

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

[2-(3,4-difluorophenyl)sulfanylphenyl]methanol (PubChem CID 63812967) has the molecular formula C13H10F2OS and a molecular weight of 252.28 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)sulfanylphenyl]methanol
PubChem CID63812967
Molecular FormulaC13H10F2OS
Molecular Weight252.28 g/mol
Exact Mass252.04
IUPAC Name[2-(3,4-difluorophenyl)sulfanylphenyl]methanol
SMILESOCc1ccccc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F2OS/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2
InChIKeyOLCOPABPMZFXMX-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-2-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 114062105
1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine
CID 63818458
[2-chloro-6-(3,4-difluorophenyl)sulfanylphenyl]methanol
CID 63814768
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzoic acid
CID 63083044
[4-bromo-2-(2-fluorophenyl)sulfanylphenyl]methanol
CID 55237943
1-[2-(4-fluoro-3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
CID 67632592
N-[[5-chloro-2-(3,4-difluorophenyl)sulfanylphenyl]methyl]propan-2-amine
CID 114864276
2-(3,4-difluorophenyl)sulfanylethanol
CID 43392369
2-[[2-(3-chlorophenyl)sulfanylphenyl]methylamino]-6-(hydroxymethyl)phenol
CID 69008982

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)sulfanylphenyl]methanol?
The IUPAC name of [2-(3,4-difluorophenyl)sulfanylphenyl]methanol (CID 63812967) is [2-(3,4-difluorophenyl)sulfanylphenyl]methanol.
What is the SMILES notation for [2-(3,4-difluorophenyl)sulfanylphenyl]methanol?
The canonical SMILES for [2-(3,4-difluorophenyl)sulfanylphenyl]methanol is OCc1ccccc1Sc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)sulfanylphenyl]methanol?
The InChIKey is OLCOPABPMZFXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c14-11-6-5-10(7-12(11)15)17-13-4-2-1-3-9(13)8-16/h1-7,16H,8H2.
What are the key properties of [2-(3,4-difluorophenyl)sulfanylphenyl]methanol?
[2-(3,4-difluorophenyl)sulfanylphenyl]methanol has a molecular weight of 252.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)sulfanylphenyl]methanol is sourced from PubChem (CID 63812967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).