4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine

C16H18ClNO — CID 81234744

IUPAC4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine
SMILESCC(C)(C)c1ccccc1Oc1ccncc1CCl
InChIInChI=1S/C16H18ClNO/c1-16(2,3)13-6-4-5-7-15(13)19-14-8-9-18-11-12(14)10-17/h4-9,11H,10H2,1-3H3
InChIKeyFMTDXQBRZMRGGF-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.91
Rot. Bonds3

About 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine

4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine (PubChem CID 81234744) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine.

Molecular Properties

Compound Name4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine
PubChem CID81234744
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine
SMILESCC(C)(C)c1ccccc1Oc1ccncc1CCl
InChIInChI=1S/C16H18ClNO/c1-16(2,3)13-6-4-5-7-15(13)19-14-8-9-18-11-12(14)10-17/h4-9,11H,10H2,1-3H3
InChIKeyFMTDXQBRZMRGGF-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075212
3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine
CID 81235555
4-(2-tert-butylphenoxy)pyridine-3-carboxylic acid
CID 81228623
4-(2-tert-butylphenoxy)-3-nitropyridine
CID 59857443
2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine
CID 63446144
3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
CID 81234889
[4-(2-tert-butyl-5-methylphenoxy)-3-pyridinyl]methanamine
CID 81255272
3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine
CID 81234048
3-(chloromethyl)-4-(3-propan-2-ylphenoxy)pyridine
CID 81233837
1,2-ditert-butylbenzene;3,4-ditert-butylpyridine
CID 158272482
1-tert-butyl-2-(1-chloro-2-methylpropan-2-yl)oxybenzene
CID 82084597
4-(chloromethyl)-3-(2,3-dimethylphenoxy)pyridine
CID 105067641

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine?
The IUPAC name of 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine (CID 81234744) is 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine.
What is the SMILES notation for 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine?
The canonical SMILES for 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine is CC(C)(C)c1ccccc1Oc1ccncc1CCl.
What is the InChIKey of 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine?
The InChIKey is FMTDXQBRZMRGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-16(2,3)13-6-4-5-7-15(13)19-14-8-9-18-11-12(14)10-17/h4-9,11H,10H2,1-3H3.
What are the key properties of 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine?
4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine has a molecular weight of 275.78 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine is sourced from PubChem (CID 81234744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).