2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol

C11H17NO4 — CID 67071852

IUPAC2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol
SMILESCC(C)Oc1ccc(OC(CO)CO)nc1
InChIInChI=1S/C11H17NO4/c1-8(2)15-9-3-4-11(12-5-9)16-10(6-13)7-14/h3-5,8,10,13-14H,6-7H2,1-2H3
InChIKeyQDTOKTWYPWUGLI-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.60
Rot. Bonds6

About 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol

2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol (PubChem CID 67071852) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol
PubChem CID67071852
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol
SMILESCC(C)Oc1ccc(OC(CO)CO)nc1
InChIInChI=1S/C11H17NO4/c1-8(2)15-9-3-4-11(12-5-9)16-10(6-13)7-14/h3-5,8,10,13-14H,6-7H2,1-2H3
InChIKeyQDTOKTWYPWUGLI-UHFFFAOYSA-N
XLogP0.60
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
2-(1-ethoxyethenyl)-5-propan-2-yloxypyridine
CID 169004083
2-(4-hydroxy-3-propan-2-yloxyphenoxy)propane-1,3-diol
CID 77231109
5-(bromomethyl)-2-propan-2-yloxypyridine
CID 130153198
methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
CID 68550824
N-hydroxy-5-propan-2-yloxypyridine-2-carboxamide
CID 58126135
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
1-(5-propan-2-yloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584724
2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropen-1-yl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
CID 129167293
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
6-propan-2-yloxypyridine-3-carbothioamide
CID 24703491
2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
CID 123269816

Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol?
The IUPAC name of 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol (CID 67071852) is 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol.
What is the SMILES notation for 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol?
The canonical SMILES for 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol is CC(C)Oc1ccc(OC(CO)CO)nc1.
What is the InChIKey of 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol?
The InChIKey is QDTOKTWYPWUGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8(2)15-9-3-4-11(12-5-9)16-10(6-13)7-14/h3-5,8,10,13-14H,6-7H2,1-2H3.
What are the key properties of 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol?
2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol has a molecular weight of 227.26 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yloxy-2-pyridinyl)oxy]propane-1,3-diol is sourced from PubChem (CID 67071852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).