4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine

C16H18ClNO3 — CID 60891318

IUPAC4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
SMILESCOc1cc(CCl)cc(OC)c1OCCc1ccncc1
InChIInChI=1S/C16H18ClNO3/c1-19-14-9-13(11-17)10-15(20-2)16(14)21-8-5-12-3-6-18-7-4-12/h3-4,6-7,9-10H,5,8,11H2,1-2H3
InChIKeyJFDJDGUPVKCDGW-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.46
Rot. Bonds7

About 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine

4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine (PubChem CID 60891318) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
PubChem CID60891318
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
SMILESCOc1cc(CCl)cc(OC)c1OCCc1ccncc1
InChIInChI=1S/C16H18ClNO3/c1-19-14-9-13(11-17)10-15(20-2)16(14)21-8-5-12-3-6-18-7-4-12/h3-4,6-7,9-10H,5,8,11H2,1-2H3
InChIKeyJFDJDGUPVKCDGW-UHFFFAOYSA-N
XLogP3.46
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.46
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-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891470
4-[2-[2-bromo-4-(chloromethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891684
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
[3-methoxy-4-(2-pyridin-4-ylethoxy)phenyl]methanamine
CID 60892245
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
CID 104707451
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
CID 63776256
5-(chloromethyl)-2-(2-ethylsulfanylethoxy)-1,3-dimethoxybenzene
CID 113473809
4-[2-[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]ethyl]pyridine
CID 60891685
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63265023
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine?
The IUPAC name of 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine (CID 60891318) is 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine.
What is the SMILES notation for 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine?
The canonical SMILES for 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine is COc1cc(CCl)cc(OC)c1OCCc1ccncc1.
What is the InChIKey of 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine?
The InChIKey is JFDJDGUPVKCDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-19-14-9-13(11-17)10-15(20-2)16(14)21-8-5-12-3-6-18-7-4-12/h3-4,6-7,9-10H,5,8,11H2,1-2H3.
What are the key properties of 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine?
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine has a molecular weight of 307.78 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine is sourced from PubChem (CID 60891318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).