1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol

C16H18OS — CID 55238711

IUPAC1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccc(C)c(Sc2ccccc2C(C)O)c1
InChIInChI=1S/C16H18OS/c1-11-8-9-12(2)16(10-11)18-15-7-5-4-6-14(15)13(3)17/h4-10,13,17H,1-3H3
InChIKeyQIHWEFATXHNUEA-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.51
Rot. Bonds3

About 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol

1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol (PubChem CID 55238711) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
PubChem CID55238711
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
SMILESCc1ccc(C)c(Sc2ccccc2C(C)O)c1
InChIInChI=1S/C16H18OS/c1-11-8-9-12(2)16(10-11)18-15-7-5-4-6-14(15)13(3)17/h4-10,13,17H,1-3H3
InChIKeyQIHWEFATXHNUEA-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995797
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1R)-1-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 55238900
1-[3-bromo-4-(2,5-dimethylphenyl)sulfanylphenyl]ethanol
CID 63814157
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 55238714
(1S)-1-[2-(3,4-difluorophenyl)sulfanylphenyl]ethanol
CID 78951586
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
(1S)-1-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanol
CID 65041142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol (CID 55238711) is 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol is Cc1ccc(C)c(Sc2ccccc2C(C)O)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol?
The InChIKey is QIHWEFATXHNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-11-8-9-12(2)16(10-11)18-15-7-5-4-6-14(15)13(3)17/h4-10,13,17H,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol?
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol has a molecular weight of 258.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 55238711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).