2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine

C15H17NO4 — CID 121304269

IUPAC2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
SMILESCOc1cc(OCc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C15H17NO4/c1-17-13-8-12(9-14(18-2)15(13)19-3)20-10-11-6-4-5-7-16-11/h4-9H,10H2,1-3H3
InChIKeyHCZHACDYNBFRER-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.69
Rot. Bonds6

About 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine

2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine (PubChem CID 121304269) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
PubChem CID121304269
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
SMILESCOc1cc(OCc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C15H17NO4/c1-17-13-8-12(9-14(18-2)15(13)19-3)20-10-11-6-4-5-7-16-11/h4-9H,10H2,1-3H3
InChIKeyHCZHACDYNBFRER-UHFFFAOYSA-N
XLogP2.69
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-(pyridin-2-ylmethoxy)aniline
CID 103201474
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
1,2,3-trimethoxy-5-(5-phenoxypentoxy)benzene
CID 141201011
5-methoxy-2-(pyridin-2-ylmethoxy)aniline
CID 16775223
(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 46575969
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
1,7-bis[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 142718830
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methanol
CID 43471608
[2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate
CID 3038982
3-amino-4-pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 67619578

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine?
The IUPAC name of 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine (CID 121304269) is 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine.
What is the SMILES notation for 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine?
The canonical SMILES for 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine is COc1cc(OCc2ccccn2)cc(OC)c1OC.
What is the InChIKey of 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine?
The InChIKey is HCZHACDYNBFRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-17-13-8-12(9-14(18-2)15(13)19-3)20-10-11-6-4-5-7-16-11/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine?
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine has a molecular weight of 275.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine is sourced from PubChem (CID 121304269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).