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

C16H15NO2 — CID 11414108

IUPAC2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine
SMILESCOc1cccc(OCC#Cc2cccc(C)n2)c1
InChIInChI=1S/C16H15NO2/c1-13-6-3-7-14(17-13)8-5-11-19-16-10-4-9-15(12-16)18-2/h3-4,6-7,9-10,12H,11H2,1-2H3
InChIKeyAWOSYYCAGCWGCT-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.83
Rot. Bonds3

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

2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine (PubChem CID 11414108) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine
PubChem CID11414108
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine
SMILESCOc1cccc(OCC#Cc2cccc(C)n2)c1
InChIInChI=1S/C16H15NO2/c1-13-6-3-7-14(17-13)8-5-11-19-16-10-4-9-15(12-16)18-2/h3-4,6-7,9-10,12H,11H2,1-2H3
InChIKeyAWOSYYCAGCWGCT-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-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine?
The IUPAC name of 2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine (CID 11414108) is 2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine.
What is the SMILES notation for 2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine?
The canonical SMILES for 2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine is COc1cccc(OCC#Cc2cccc(C)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine?
The InChIKey is AWOSYYCAGCWGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-13-6-3-7-14(17-13)8-5-11-19-16-10-4-9-15(12-16)18-2/h3-4,6-7,9-10,12H,11H2,1-2H3.
What are the key properties of 2-[3-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine?
2-[3-(3-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-(3-methoxyphenoxy)prop-1-ynyl]-6-methylpyridine is sourced from PubChem (CID 11414108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).