2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol

C13H19NO4 — CID 103547597

IUPAC2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
SMILESCC(C)Oc1cncc(C(O)CC2OCCO2)c1
InChIInChI=1S/C13H19NO4/c1-9(2)18-11-5-10(7-14-8-11)12(15)6-13-16-3-4-17-13/h5,7-9,12-13,15H,3-4,6H2,1-2H3
InChIKeyQLUJOEHCLLYFMV-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.67
Rot. Bonds5

About 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol

2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol (PubChem CID 103547597) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
PubChem CID103547597
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
SMILESCC(C)Oc1cncc(C(O)CC2OCCO2)c1
InChIInChI=1S/C13H19NO4/c1-9(2)18-11-5-10(7-14-8-11)12(15)6-13-16-3-4-17-13/h5,7-9,12-13,15H,3-4,6H2,1-2H3
InChIKeyQLUJOEHCLLYFMV-UHFFFAOYSA-N
XLogP1.67
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 103547374
3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol
CID 115829399
3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol
CID 115829422
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474001
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
2-(1,3-dioxolan-2-yl)-1-pyridin-4-ylethanol
CID 59574538
piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630
(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115829389
(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103277657
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546700

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol (CID 103547597) is 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol is CC(C)Oc1cncc(C(O)CC2OCCO2)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol?
The InChIKey is QLUJOEHCLLYFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(2)18-11-5-10(7-14-8-11)12(15)6-13-16-3-4-17-13/h5,7-9,12-13,15H,3-4,6H2,1-2H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol?
2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol has a molecular weight of 253.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol is sourced from PubChem (CID 103547597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).