2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine

C16H18ClNO3 — CID 82885946

IUPAC2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2cc(OC)ccc2CCl)c1
InChIInChI=1S/C16H18ClNO3/c1-11-6-15(20-3)7-13(18-11)10-21-16-8-14(19-2)5-4-12(16)9-17/h4-8H,9-10H2,1-3H3
InChIKeyNCUMKNBIORHBFY-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.73
Rot. Bonds6

About 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine

2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine (PubChem CID 82885946) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
PubChem CID82885946
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2cc(OC)ccc2CCl)c1
InChIInChI=1S/C16H18ClNO3/c1-11-6-15(20-3)7-13(18-11)10-21-16-8-14(19-2)5-4-12(16)9-17/h4-8H,9-10H2,1-3H3
InChIKeyNCUMKNBIORHBFY-UHFFFAOYSA-N
XLogP3.73
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902
1-(chloromethyl)-4-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 61270022
5-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891995
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
[4-methoxy-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79268166
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]pyrimidine
CID 62700508
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115956685
2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115962306
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888898
[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891533
4-chloro-3-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891927
1-(chloromethyl)-2-[(4-iodophenyl)methoxy]-4-methoxybenzene
CID 65477833

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine?
The IUPAC name of 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine (CID 82885946) is 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine.
What is the SMILES notation for 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine?
The canonical SMILES for 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine is COc1cc(C)nc(COc2cc(OC)ccc2CCl)c1.
What is the InChIKey of 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine?
The InChIKey is NCUMKNBIORHBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-11-6-15(20-3)7-13(18-11)10-21-16-8-14(19-2)5-4-12(16)9-17/h4-8H,9-10H2,1-3H3.
What are the key properties of 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine?
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine has a molecular weight of 307.78 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine is sourced from PubChem (CID 82885946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).