1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol

C17H20O2S — CID 106680203

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol
SMILESCOc1cc(C)cc(C)c1C(O)CSc1ccccc1
InChIInChI=1S/C17H20O2S/c1-12-9-13(2)17(16(10-12)19-3)15(18)11-20-14-7-5-4-6-8-14/h4-10,15,18H,11H2,1-3H3
InChIKeyUYNXKPHYSILTQI-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.14
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol

1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol (PubChem CID 106680203) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol
PubChem CID106680203
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol
SMILESCOc1cc(C)cc(C)c1C(O)CSc1ccccc1
InChIInChI=1S/C17H20O2S/c1-12-9-13(2)17(16(10-12)19-3)15(18)11-20-14-7-5-4-6-8-14/h4-10,15,18H,11H2,1-3H3
InChIKeyUYNXKPHYSILTQI-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-2-phenylethanol
CID 106680320
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
1-(2,4-dimethoxyphenyl)-2-phenylsulfanylethanol
CID 65141920
1-(2-methoxy-4,6-dimethylphenyl)-2-pyridin-2-ylethanol
CID 106680148
1-(5-chloro-2-methoxyphenyl)-2-phenylsulfanylethanol
CID 65141873
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 106680156
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106682653
1,2,3,4,5-pentafluoro-6-[(1R)-2-phenylsulfanyl-1-(2,4,6-trimethylphenyl)ethyl]benzene
CID 10982736
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881089
[(2-methoxy-4,6-dimethylphenyl)-phenylmethyl]hydrazine
CID 106682684

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol (CID 106680203) is 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol is COc1cc(C)cc(C)c1C(O)CSc1ccccc1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol?
The InChIKey is UYNXKPHYSILTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-12-9-13(2)17(16(10-12)19-3)15(18)11-20-14-7-5-4-6-8-14/h4-10,15,18H,11H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol?
1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol has a molecular weight of 288.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-phenylsulfanylethanol is sourced from PubChem (CID 106680203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).