2-(phenoxymethyl)-3-propoxypyridine

C15H17NO2 — CID 174392620

IUPAC2-(phenoxymethyl)-3-propoxypyridine
SMILESCCCOc1cccnc1COc1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-11-17-15-9-6-10-16-14(15)12-18-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3
InChIKeyIDMJOWJQAZRDNX-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.45
Rot. Bonds6

About 2-(phenoxymethyl)-3-propoxypyridine

2-(phenoxymethyl)-3-propoxypyridine (PubChem CID 174392620) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(phenoxymethyl)-3-propoxypyridine.

Molecular Properties

Compound Name2-(phenoxymethyl)-3-propoxypyridine
PubChem CID174392620
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(phenoxymethyl)-3-propoxypyridine
SMILESCCCOc1cccnc1COc1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-11-17-15-9-6-10-16-14(15)12-18-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3
InChIKeyIDMJOWJQAZRDNX-UHFFFAOYSA-N
XLogP3.45
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(phenoxymethyl)pyridine
CID 123532650
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
2-methyl-3-(2-phenoxyethoxy)pyridine
CID 59416564
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
ethoxybenzene;propoxybenzene
CID 67747691
2-pentyl-3-phenoxypyridine
CID 173046802
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
magnesium;ethane;propoxybenzene;bromide
CID 175337245
propoxybenzene;sulfur dioxide
CID 174403655
potassium 2-propoxyphenolate
CID 23686802

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-3-propoxypyridine?
The IUPAC name of 2-(phenoxymethyl)-3-propoxypyridine (CID 174392620) is 2-(phenoxymethyl)-3-propoxypyridine.
What is the SMILES notation for 2-(phenoxymethyl)-3-propoxypyridine?
The canonical SMILES for 2-(phenoxymethyl)-3-propoxypyridine is CCCOc1cccnc1COc1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)-3-propoxypyridine?
The InChIKey is IDMJOWJQAZRDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-11-17-15-9-6-10-16-14(15)12-18-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-(phenoxymethyl)-3-propoxypyridine?
2-(phenoxymethyl)-3-propoxypyridine has a molecular weight of 243.31 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-3-propoxypyridine is sourced from PubChem (CID 174392620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).