1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol

C15H22O3S — CID 65410771

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C15H22O3S/c1-2-19(17,18)9-5-8-15(16)14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14-16H,2,5,8-11H2,1H3
InChIKeyJPLHHNABHMQHOR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.98
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol

1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol (PubChem CID 65410771) has the molecular formula C15H22O3S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol
PubChem CID65410771
Molecular FormulaC15H22O3S
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C15H22O3S/c1-2-19(17,18)9-5-8-15(16)14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14-16H,2,5,8-11H2,1H3
InChIKeyJPLHHNABHMQHOR-UHFFFAOYSA-N
XLogP1.98
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol (CID 65410771) is 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol is CCS(=O)(=O)CCCC(O)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol?
The InChIKey is JPLHHNABHMQHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-2-19(17,18)9-5-8-15(16)14-10-12-6-3-4-7-13(12)11-14/h3-4,6-7,14-16H,2,5,8-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol?
1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol has a molecular weight of 282.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-ethylsulfonylbutan-1-ol is sourced from PubChem (CID 65410771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).