2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol

C15H20O2S — CID 79962796

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol
SMILESOC(Cc1ccc2c(c1)CCC2)C1CSCCO1
InChIInChI=1S/C15H20O2S/c16-14(15-10-18-7-6-17-15)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,14-16H,1-3,6-7,9-10H2
InChIKeyLBBIWOUKCJCTGR-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.21
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol

2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol (PubChem CID 79962796) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol
PubChem CID79962796
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol
SMILESOC(Cc1ccc2c(c1)CCC2)C1CSCCO1
InChIInChI=1S/C15H20O2S/c16-14(15-10-18-7-6-17-15)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,14-16H,1-3,6-7,9-10H2
InChIKeyLBBIWOUKCJCTGR-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-oxathian-2-yl)-2-(1,2-thiazol-5-yl)ethanol
CID 164654930
1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol
CID 79963796
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444601
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963503
2-(3-bromo-4-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963811
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65395381
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propylcyclohexyl)ethanol
CID 65425263
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylcyclopentyl)ethanol
CID 65409563
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine
CID 80623180
1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79963410
N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328765
1-(1,4-oxathian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79962815

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol (CID 79962796) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol is OC(Cc1ccc2c(c1)CCC2)C1CSCCO1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol?
The InChIKey is LBBIWOUKCJCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c16-14(15-10-18-7-6-17-15)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,14-16H,1-3,6-7,9-10H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol?
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol has a molecular weight of 264.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(1,4-oxathian-2-yl)ethanol is sourced from PubChem (CID 79962796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).