2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine

C16H15NO — CID 11481793

IUPAC2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine
SMILESCc1ccc(OCC#Cc2cccc(C)n2)cc1
InChIInChI=1S/C16H15NO/c1-13-8-10-16(11-9-13)18-12-4-7-15-6-3-5-14(2)17-15/h3,5-6,8-11H,12H2,1-2H3
InChIKeyGMIZGDGVYPBQCS-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.13
Rot. Bonds2

About 2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine

2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine (PubChem CID 11481793) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine
PubChem CID11481793
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine
SMILESCc1ccc(OCC#Cc2cccc(C)n2)cc1
InChIInChI=1S/C16H15NO/c1-13-8-10-16(11-9-13)18-12-4-7-15-6-3-5-14(2)17-15/h3,5-6,8-11H,12H2,1-2H3
InChIKeyGMIZGDGVYPBQCS-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine?
The IUPAC name of 2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine (CID 11481793) is 2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine.
What is the SMILES notation for 2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine?
The canonical SMILES for 2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine is Cc1ccc(OCC#Cc2cccc(C)n2)cc1.
What is the InChIKey of 2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine?
The InChIKey is GMIZGDGVYPBQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-13-8-10-16(11-9-13)18-12-4-7-15-6-3-5-14(2)17-15/h3,5-6,8-11H,12H2,1-2H3.
What are the key properties of 2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine?
2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine has a molecular weight of 237.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(4-methylphenoxy)prop-1-ynyl]pyridine is sourced from PubChem (CID 11481793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).