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

C16H18ClNO3 — CID 60891470

IUPAC2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
SMILESCOc1cc(CCl)cc(OC)c1OCCc1ccccn1
InChIInChI=1S/C16H18ClNO3/c1-19-14-9-12(11-17)10-15(20-2)16(14)21-8-6-13-5-3-4-7-18-13/h3-5,7,9-10H,6,8,11H2,1-2H3
InChIKeyRPWFSVSMGXLNAW-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.46
Rot. Bonds7

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

2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine (PubChem CID 60891470) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
PubChem CID60891470
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
SMILESCOc1cc(CCl)cc(OC)c1OCCc1ccccn1
InChIInChI=1S/C16H18ClNO3/c1-19-14-9-12(11-17)10-15(20-2)16(14)21-8-6-13-5-3-4-7-18-13/h3-5,7,9-10H,6,8,11H2,1-2H3
InChIKeyRPWFSVSMGXLNAW-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-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
2-methoxy-4-(2-pyridin-2-ylethoxy)aniline
CID 63678212
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
CID 43516801
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
CID 63776256
5-(chloromethyl)-2-(2-ethylsulfanylethoxy)-1,3-dimethoxybenzene
CID 113473809
[3,5-dimethoxy-4-(2-pyridin-3-ylethoxy)phenyl]methanamine
CID 63265023

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine?
The IUPAC name of 2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine (CID 60891470) is 2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine is COc1cc(CCl)cc(OC)c1OCCc1ccccn1.
What is the InChIKey of 2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine?
The InChIKey is RPWFSVSMGXLNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-19-14-9-12(11-17)10-15(20-2)16(14)21-8-6-13-5-3-4-7-18-13/h3-5,7,9-10H,6,8,11H2,1-2H3.
What are the key properties of 2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine?
2-[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 2-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine is sourced from PubChem (CID 60891470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).