2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine

C17H22NO4P — CID 86623900

IUPAC2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine
SMILESCCOP(=O)(Cc1cccc(Oc2cccc(C)n2)c1)OCC
InChIInChI=1S/C17H22NO4P/c1-4-20-23(19,21-5-2)13-15-9-7-10-16(12-15)22-17-11-6-8-14(3)18-17/h6-12H,4-5,13H2,1-3H3
InChIKeyYUOLFHWKCZNQDY-UHFFFAOYSA-N
MW335.34 g/mol
LogP4.95
Rot. Bonds8

About 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine

2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine (PubChem CID 86623900) has the molecular formula C17H22NO4P and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine
PubChem CID86623900
Molecular FormulaC17H22NO4P
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine
SMILESCCOP(=O)(Cc1cccc(Oc2cccc(C)n2)c1)OCC
InChIInChI=1S/C17H22NO4P/c1-4-20-23(19,21-5-2)13-15-9-7-10-16(12-15)22-17-11-6-8-14(3)18-17/h6-12H,4-5,13H2,1-3H3
InChIKeyYUOLFHWKCZNQDY-UHFFFAOYSA-N
XLogP4.95
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[3-[[ethoxy(methoxy)phosphoryl]methyl]phenoxy]pyridine
CID 166076238
2-(3-iodophenoxy)-6-methylpyridine
CID 61400141
2-(3-ethylphenoxy)-6-methylpyrazine
CID 126676392
1-[chloro(diethoxyphosphoryl)methyl]-3-(diethoxyphosphorylmethyl)benzene
CID 10740436
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
[2-chloro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724765
3-[3-[(6-methyl-2-pyridinyl)oxy]phenyl]prop-2-yn-1-ol
CID 19422171
benzyl 3-(diethoxyphosphorylmethyl)benzoate
CID 10926532
3-(diethoxyphosphorylmethyl)quinoline
CID 87383457
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
ethoxy-[[3-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
CID 87175635
1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine?
The IUPAC name of 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine (CID 86623900) is 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine.
What is the SMILES notation for 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine?
The canonical SMILES for 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine is CCOP(=O)(Cc1cccc(Oc2cccc(C)n2)c1)OCC.
What is the InChIKey of 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine?
The InChIKey is YUOLFHWKCZNQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NO4P/c1-4-20-23(19,21-5-2)13-15-9-7-10-16(12-15)22-17-11-6-8-14(3)18-17/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine?
2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine has a molecular weight of 335.34 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethoxyphosphorylmethyl)phenoxy]-6-methylpyridine is sourced from PubChem (CID 86623900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).