2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C15H22O3S — CID 106729008

IUPAC2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCS(=O)(=O)CCC1CCc2ccccc2C1O
InChIInChI=1S/C15H22O3S/c1-2-10-19(17,18)11-9-13-8-7-12-5-3-4-6-14(12)15(13)16/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyUHEYVNYXRYHFRT-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.50
Rot. Bonds5

About 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 106729008) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID106729008
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCCS(=O)(=O)CCC1CCc2ccccc2C1O
InChIInChI=1S/C15H22O3S/c1-2-10-19(17,18)11-9-13-8-7-12-5-3-4-6-14(12)15(13)16/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyUHEYVNYXRYHFRT-UHFFFAOYSA-N
XLogP2.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 106729008) is 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is CCCS(=O)(=O)CCC1CCc2ccccc2C1O.
What is the InChIKey of 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is UHEYVNYXRYHFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-2-10-19(17,18)11-9-13-8-7-12-5-3-4-6-14(12)15(13)16/h3-6,13,15-16H,2,7-11H2,1H3.
What are the key properties of 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 282.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 106729008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).