2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine

C16H15NO2 — CID 11357227

IUPAC2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine
SMILESCOc1ccc(OCC#Cc2cccc(C)n2)cc1
InChIInChI=1S/C16H15NO2/c1-13-5-3-6-14(17-13)7-4-12-19-16-10-8-15(18-2)9-11-16/h3,5-6,8-11H,12H2,1-2H3
InChIKeyIBKAUQIOBRBTMT-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.83
Rot. Bonds3

About 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine

2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine (PubChem CID 11357227) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine
PubChem CID11357227
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine
SMILESCOc1ccc(OCC#Cc2cccc(C)n2)cc1
InChIInChI=1S/C16H15NO2/c1-13-5-3-6-14(17-13)7-4-12-19-16-10-8-15(18-2)9-11-16/h3,5-6,8-11H,12H2,1-2H3
InChIKeyIBKAUQIOBRBTMT-UHFFFAOYSA-N
XLogP2.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine?
The IUPAC name of 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine (CID 11357227) is 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine.
What is the SMILES notation for 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine?
The canonical SMILES for 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine is COc1ccc(OCC#Cc2cccc(C)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine?
The InChIKey is IBKAUQIOBRBTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-13-5-3-6-14(17-13)7-4-12-19-16-10-8-15(18-2)9-11-16/h3,5-6,8-11H,12H2,1-2H3.
What are the key properties of 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine?
2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine has a molecular weight of 253.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine is sourced from PubChem (CID 11357227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).