3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine

C16H19NO2 — CID 163311699

IUPAC3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine
SMILESCOc1cnccc1-c1ccccc1OCC(C)C
InChIInChI=1S/C16H19NO2/c1-12(2)11-19-15-7-5-4-6-13(15)14-8-9-17-10-16(14)18-3/h4-10,12H,11H2,1-3H3
InChIKeyDVBVZCDLFDUPFP-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.79
Rot. Bonds5

About 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine

3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine (PubChem CID 163311699) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine
PubChem CID163311699
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine
SMILESCOc1cnccc1-c1ccccc1OCC(C)C
InChIInChI=1S/C16H19NO2/c1-12(2)11-19-15-7-5-4-6-13(15)14-8-9-17-10-16(14)18-3/h4-10,12H,11H2,1-3H3
InChIKeyDVBVZCDLFDUPFP-UHFFFAOYSA-N
XLogP3.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-4-pyridinyl)-3-(2-methylpropoxy)benzene-1,2-diamine
CID 129245711
2-ethoxy-3-(3-methoxy-4-pyridinyl)pyridine
CID 162633135
3-chloro-4-(2-methoxyphenyl)pyridine
CID 134375392
3-[2-(2-methylpropoxy)phenyl]pyridine-2,6-diamine
CID 139370148
CID 123645398
CID 123645398
sodium 3-(2-methylpropoxy)pyridine-4-carboxylate
CID 172826059
1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
CID 174637541
2-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)aniline
CID 54864920
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
CID 82452946
3-(2-methoxyphenyl)pyridine
CID 4133297
2-amino-1-[4-(2-methylpropoxy)-3-pyridinyl]ethanol
CID 83885089

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine?
The IUPAC name of 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine (CID 163311699) is 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine.
What is the SMILES notation for 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine?
The canonical SMILES for 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine is COc1cnccc1-c1ccccc1OCC(C)C.
What is the InChIKey of 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine?
The InChIKey is DVBVZCDLFDUPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(2)11-19-15-7-5-4-6-13(15)14-8-9-17-10-16(14)18-3/h4-10,12H,11H2,1-3H3.
What are the key properties of 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine?
3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine has a molecular weight of 257.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine is sourced from PubChem (CID 163311699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).