2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol

C16H18OS — CID 122222813

IUPAC2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol
SMILESCc1cccc(C)c1SCC(O)c1ccccc1
InChIInChI=1S/C16H18OS/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14/h3-10,15,17H,11H2,1-2H3
InChIKeyAIHRNWPIYFNJEG-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.13
Rot. Bonds4

About 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol

2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol (PubChem CID 122222813) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol
PubChem CID122222813
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol
SMILESCc1cccc(C)c1SCC(O)c1ccccc1
InChIInChI=1S/C16H18OS/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14/h3-10,15,17H,11H2,1-2H3
InChIKeyAIHRNWPIYFNJEG-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-(2-methylphenyl)sulfanylethanol
CID 61223548
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanol
CID 110879369
S-(2-hydroxy-2-phenylethyl) ethanethioate
CID 54671680
3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol
CID 116693276
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenylethanol
CID 78977116
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
CID 60981441
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
2-methylsulfanyl-1-(4-phenylphenyl)ethanol
CID 15033009
(1S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 40953519
1-phenylpropan-1-ol;hydrate
CID 156782934

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol?
The IUPAC name of 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol (CID 122222813) is 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol?
The canonical SMILES for 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol is Cc1cccc(C)c1SCC(O)c1ccccc1.
What is the InChIKey of 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol?
The InChIKey is AIHRNWPIYFNJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-12-7-6-8-13(2)16(12)18-11-15(17)14-9-4-3-5-10-14/h3-10,15,17H,11H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol?
2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol has a molecular weight of 258.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanol is sourced from PubChem (CID 122222813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).