1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol

C15H17NO2S — CID 79963796

IUPAC1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)C1CSCCO1
InChIInChI=1S/C15H17NO2S/c17-14(15-10-19-8-7-18-15)9-12-6-5-11-3-1-2-4-13(11)16-12/h1-6,14-15,17H,7-10H2
InChIKeyDOYCAHHTYCWTGY-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.27
Rot. Bonds3

About 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol

1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol (PubChem CID 79963796) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol.

Molecular Properties

Compound Name1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol
PubChem CID79963796
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)C1CSCCO1
InChIInChI=1S/C15H17NO2S/c17-14(15-10-19-8-7-18-15)9-12-6-5-11-3-1-2-4-13(11)16-12/h1-6,14-15,17H,7-10H2
InChIKeyDOYCAHHTYCWTGY-UHFFFAOYSA-N
XLogP2.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
1-(2-methyloxolan-3-yl)-2-quinolin-2-ylethanol
CID 79763648
naphthalen-2-yl(1,4-oxathian-2-yl)methanol
CID 79963790
2-(3-bromophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963285
2-(2-chloro-6-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 79963503
[1-(oxolan-2-yl)-2-quinolin-2-ylethyl]hydrazine
CID 105228979
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
2-(4-bromo-2-chlorophenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 113471227
1-(oxolan-3-yl)-3-quinolin-2-ylpropan-2-ol
CID 103986478
(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 97093086
2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963416

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol?
The IUPAC name of 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol (CID 79963796) is 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol.
What is the SMILES notation for 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol?
The canonical SMILES for 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol is OC(Cc1ccc2ccccc2n1)C1CSCCO1.
What is the InChIKey of 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol?
The InChIKey is DOYCAHHTYCWTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-14(15-10-19-8-7-18-15)9-12-6-5-11-3-1-2-4-13(11)16-12/h1-6,14-15,17H,7-10H2.
What are the key properties of 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol?
1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol has a molecular weight of 275.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxathian-2-yl)-2-quinolin-2-ylethanol is sourced from PubChem (CID 79963796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).