2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol

C16H18O3S — CID 62917385

IUPAC2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-2-13-8-10-14(11-9-13)16(17)12-20(18,19)15-6-4-3-5-7-15/h3-11,16-17H,2,12H2,1H3
InChIKeyXTEHFHXEKKUBBI-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.76
Rot. Bonds5

About 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol

2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol (PubChem CID 62917385) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
PubChem CID62917385
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc(C(O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18O3S/c1-2-13-8-10-14(11-9-13)16(17)12-20(18,19)15-6-4-3-5-7-15/h3-11,16-17H,2,12H2,1H3
InChIKeyXTEHFHXEKKUBBI-UHFFFAOYSA-N
XLogP2.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585286
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
1-(4-ethylphenyl)-2-phenylsulfanylethanol
CID 4786904
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286
2-hydroxy-2-phenylethanesulfonyl chloride
CID 115032395
2-(benzenesulfonyl)-1-(4-ethylphenyl)propan-1-amine
CID 62918394
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
3-(benzenesulfonyl)-2-methylpropan-1-ol
CID 13480680

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol (CID 62917385) is 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol is CCc1ccc(C(O)CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol?
The InChIKey is XTEHFHXEKKUBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-2-13-8-10-14(11-9-13)16(17)12-20(18,19)15-6-4-3-5-7-15/h3-11,16-17H,2,12H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol?
2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol has a molecular weight of 290.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-ethylphenyl)ethanol is sourced from PubChem (CID 62917385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).