4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine

C17H20ClNO2 — CID 63446362

IUPAC4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine
SMILESCOc1ccc(Oc2ccnc(CCl)c2)c(C(C)(C)C)c1
InChIInChI=1S/C17H20ClNO2/c1-17(2,3)15-10-13(20-4)5-6-16(15)21-14-7-8-19-12(9-14)11-18/h5-10H,11H2,1-4H3
InChIKeyYEEDUKYNOLQLID-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.92
Rot. Bonds4

About 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine

4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine (PubChem CID 63446362) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine.

Molecular Properties

Compound Name4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine
PubChem CID63446362
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine
SMILESCOc1ccc(Oc2ccnc(CCl)c2)c(C(C)(C)C)c1
InChIInChI=1S/C17H20ClNO2/c1-17(2,3)15-10-13(20-4)5-6-16(15)21-14-7-8-19-12(9-14)11-18/h5-10H,11H2,1-4H3
InChIKeyYEEDUKYNOLQLID-UHFFFAOYSA-N
XLogP4.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.92
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

4-(2-tert-butyl-4-methoxyphenoxy)-2-chloropyrimidine
CID 62336755
2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine
CID 116797637
[6-(2-tert-butyl-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 16786203
[6-(2-tert-butyl-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 62298299
2-(chloromethyl)-4-(2-fluoro-5-methylphenoxy)pyridine
CID 64855817
2-(chloromethyl)-4-naphthalen-1-yloxypyridine
CID 61269548
4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine
CID 83134736
4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
CID 80867099
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
CID 15051117
2-(chloromethyl)-4-(4-phenylphenoxy)pyridine
CID 63446226
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile
CID 63510038

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine?
The IUPAC name of 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine (CID 63446362) is 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine.
What is the SMILES notation for 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine?
The canonical SMILES for 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine is COc1ccc(Oc2ccnc(CCl)c2)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine?
The InChIKey is YEEDUKYNOLQLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-17(2,3)15-10-13(20-4)5-6-16(15)21-14-7-8-19-12(9-14)11-18/h5-10H,11H2,1-4H3.
What are the key properties of 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine?
4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine has a molecular weight of 305.81 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine is sourced from PubChem (CID 63446362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).