1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol

C19H22O4S — CID 109416099

IUPAC1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)COc2cccc3c2CCCC3)cc1
InChIInChI=1S/C19H22O4S/c1-24(21,22)16-11-9-15(10-12-16)18(20)13-23-19-8-4-6-14-5-2-3-7-17(14)19/h4,6,8-12,18,20H,2-3,5,7,13H2,1H3
InChIKeyUQUFYLGTHMQWLK-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol

1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol (PubChem CID 109416099) has the molecular formula C19H22O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol
PubChem CID109416099
Molecular FormulaC19H22O4S
Molecular Weight346.45 g/mol
Exact Mass346.12
IUPAC Name1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol
SMILESCS(=O)(=O)c1ccc(C(O)COc2cccc3c2CCCC3)cc1
InChIInChI=1S/C19H22O4S/c1-24(21,22)16-11-9-15(10-12-16)18(20)13-23-19-8-4-6-14-5-2-3-7-17(14)19/h4,6,8-12,18,20H,2-3,5,7,13H2,1H3
InChIKeyUQUFYLGTHMQWLK-UHFFFAOYSA-N
XLogP3.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109416073
2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109415720
2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol
CID 14500432
2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide
CID 14500433
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655
1-(4-fluorophenyl)-2-(2-methyl-3-nitrophenoxy)ethanol
CID 109415938
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717
5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 113101703
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
CID 116820516

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol?
The IUPAC name of 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol (CID 109416099) is 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol is CS(=O)(=O)c1ccc(C(O)COc2cccc3c2CCCC3)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol?
The InChIKey is UQUFYLGTHMQWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4S/c1-24(21,22)16-11-9-15(10-12-16)18(20)13-23-19-8-4-6-14-5-2-3-7-17(14)19/h4,6,8-12,18,20H,2-3,5,7,13H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol?
1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol has a molecular weight of 346.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol is sourced from PubChem (CID 109416099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).