[3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol

C13H19NO3 — CID 105067217

IUPAC[3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol
SMILESCC1CC(Oc2cnccc2CO)CC(C)O1
InChIInChI=1S/C13H19NO3/c1-9-5-12(6-10(2)16-9)17-13-7-14-4-3-11(13)8-15/h3-4,7,9-10,12,15H,5-6,8H2,1-2H3
InChIKeyPBTPSFJGTKTXBF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds3

About [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol

[3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol (PubChem CID 105067217) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol
PubChem CID105067217
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol
SMILESCC1CC(Oc2cnccc2CO)CC(C)O1
InChIInChI=1S/C13H19NO3/c1-9-5-12(6-10(2)16-9)17-13-7-14-4-3-11(13)8-15/h3-4,7,9-10,12,15H,5-6,8H2,1-2H3
InChIKeyPBTPSFJGTKTXBF-UHFFFAOYSA-N
XLogP1.91
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol?
The IUPAC name of [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol (CID 105067217) is [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol.
What is the SMILES notation for [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol?
The canonical SMILES for [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol is CC1CC(Oc2cnccc2CO)CC(C)O1.
What is the InChIKey of [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol?
The InChIKey is PBTPSFJGTKTXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-5-12(6-10(2)16-9)17-13-7-14-4-3-11(13)8-15/h3-4,7,9-10,12,15H,5-6,8H2,1-2H3.
What are the key properties of [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol?
[3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methanol is sourced from PubChem (CID 105067217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).