1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C14H19NO2S — CID 79962484

IUPAC1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(C1CSCCO1)C1CCCc2cccnc21
InChIInChI=1S/C14H19NO2S/c16-14(12-9-18-8-7-17-12)11-5-1-3-10-4-2-6-15-13(10)11/h2,4,6,11-12,14,16H,1,3,5,7-9H2
InChIKeyOFMYJOCUNNTYDY-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.99
Rot. Bonds2

About 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol

1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 79962484) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID79962484
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(C1CSCCO1)C1CCCc2cccnc21
InChIInChI=1S/C14H19NO2S/c16-14(12-9-18-8-7-17-12)11-5-1-3-10-4-2-6-15-13(10)11/h2,4,6,11-12,14,16H,1,3,5,7-9H2
InChIKeyOFMYJOCUNNTYDY-UHFFFAOYSA-N
XLogP1.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 79962484) is 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol is OC(C1CSCCO1)C1CCCc2cccnc21.
What is the InChIKey of 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is OFMYJOCUNNTYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-14(12-9-18-8-7-17-12)11-5-1-3-10-4-2-6-15-13(10)11/h2,4,6,11-12,14,16H,1,3,5,7-9H2.
What are the key properties of 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 265.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxathian-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 79962484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).