1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol

C16H18O3S — CID 106585286

IUPAC1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
SMILESCc1ccc(C(O)CS(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H18O3S/c1-12-6-8-14(9-7-12)16(17)11-20(18,19)15-5-3-4-13(2)10-15/h3-10,16-17H,11H2,1-2H3
InChIKeyWBYBDIGASDISOL-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.81
Rot. Bonds4

About 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol

1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol (PubChem CID 106585286) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
PubChem CID106585286
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
SMILESCc1ccc(C(O)CS(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C16H18O3S/c1-12-6-8-14(9-7-12)16(17)11-20(18,19)15-5-3-4-13(2)10-15/h3-10,16-17H,11H2,1-2H3
InChIKeyWBYBDIGASDISOL-UHFFFAOYSA-N
XLogP2.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585310
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286
1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585319
2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
CID 106584901
1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol
CID 106585298
1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
CID 79022604
1-(2,2-dimethoxyethylsulfonyl)-3-methylbenzene
CID 66222400
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-3-methylbenzene
CID 64758113
2-(2-chlorophenyl)sulfonyl-1-(4-methylphenyl)ethanol
CID 106585066
2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
CID 62917385
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-methylbenzenesulfonamide
CID 90581543
3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64698276

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol (CID 106585286) is 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol is Cc1ccc(C(O)CS(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol?
The InChIKey is WBYBDIGASDISOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-12-6-8-14(9-7-12)16(17)11-20(18,19)15-5-3-4-13(2)10-15/h3-10,16-17H,11H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol?
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol has a molecular weight of 290.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol is sourced from PubChem (CID 106585286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).