(3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol

C9H15NO2 — CID 173058077

IUPAC(3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol
SMILESCC(C)OC1=CC=CNC1CO
InChIInChI=1S/C9H15NO2/c1-7(2)12-9-4-3-5-10-8(9)6-11/h3-5,7-8,10-11H,6H2,1-2H3
InChIKeyLOBZUZJKDOOOLM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.77
Rot. Bonds3

About (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol

(3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol (PubChem CID 173058077) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol.

Molecular Properties

Compound Name(3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol
PubChem CID173058077
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol
SMILESCC(C)OC1=CC=CNC1CO
InChIInChI=1S/C9H15NO2/c1-7(2)12-9-4-3-5-10-8(9)6-11/h3-5,7-8,10-11H,6H2,1-2H3
InChIKeyLOBZUZJKDOOOLM-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol?
The IUPAC name of (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol (CID 173058077) is (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol.
What is the SMILES notation for (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol?
The canonical SMILES for (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol is CC(C)OC1=CC=CNC1CO.
What is the InChIKey of (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol?
The InChIKey is LOBZUZJKDOOOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(2)12-9-4-3-5-10-8(9)6-11/h3-5,7-8,10-11H,6H2,1-2H3.
What are the key properties of (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol?
(3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol has a molecular weight of 169.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxy-1,2-dihydropyridin-2-yl)methanol is sourced from PubChem (CID 173058077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).