2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine

C17H20ClNO2 — CID 82888898

IUPAC2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2c(C)cc(CCl)cc2C)c1
InChIInChI=1S/C17H20ClNO2/c1-11-5-14(9-18)6-12(2)17(11)21-10-15-8-16(20-4)7-13(3)19-15/h5-8H,9-10H2,1-4H3
InChIKeyKFVYYUSSCJBTFH-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.33
Rot. Bonds5

About 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine

2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine (PubChem CID 82888898) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine
PubChem CID82888898
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine
SMILESCOc1cc(C)nc(COc2c(C)cc(CCl)cc2C)c1
InChIInChI=1S/C17H20ClNO2/c1-11-5-14(9-18)6-12(2)17(11)21-10-15-8-16(20-4)7-13(3)19-15/h5-8H,9-10H2,1-4H3
InChIKeyKFVYYUSSCJBTFH-UHFFFAOYSA-N
XLogP4.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-bromo-2-(chloromethyl)-6-methylphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115962306
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-4-methoxy-6-methylpyridine
CID 115956685
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104
[3,5-dichloro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 82886627
2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 83133204
2-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 103887327
3-bromo-5-fluoro-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891772
[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid
CID 83136870
2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde
CID 82893166

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine?
The IUPAC name of 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine (CID 82888898) is 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine.
What is the SMILES notation for 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine?
The canonical SMILES for 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine is COc1cc(C)nc(COc2c(C)cc(CCl)cc2C)c1.
What is the InChIKey of 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine?
The InChIKey is KFVYYUSSCJBTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-5-14(9-18)6-12(2)17(11)21-10-15-8-16(20-4)7-13(3)19-15/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine?
2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine has a molecular weight of 305.81 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]-4-methoxy-6-methylpyridine is sourced from PubChem (CID 82888898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).