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

C18H19NO — CID 11323067

IUPAC2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine
SMILESCc1cccc(C#CCOc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H19NO/c1-14(2)16-9-11-18(12-10-16)20-13-5-8-17-7-4-6-15(3)19-17/h4,6-7,9-12,14H,13H2,1-3H3
InChIKeyAAZDRULOWGVHPB-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.94
Rot. Bonds3

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

2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine (PubChem CID 11323067) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine
PubChem CID11323067
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine
SMILESCc1cccc(C#CCOc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H19NO/c1-14(2)16-9-11-18(12-10-16)20-13-5-8-17-7-4-6-15(3)19-17/h4,6-7,9-12,14H,13H2,1-3H3
InChIKeyAAZDRULOWGVHPB-UHFFFAOYSA-N
XLogP3.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-tert-butylphenoxy)prop-1-ynyl]-6-methylpyridine
CID 11150172
2-[3-(4-chloro-3,5-dimethylphenoxy)prop-1-ynyl]-6-methylpyridine
CID 11219884
2-[3-(2,3-dimethylphenoxy)prop-1-ynyl]-6-methylpyridine
CID 11322699
1-(3-phenoxyprop-1-ynyl)-4-propan-2-ylbenzene
CID 58591685
1-[4-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340342
4-(6-methyl-2-pyridinyl)but-3-yn-2-ol
CID 11263664
1-butan-2-yl-4-(3-phenylprop-2-ynoxy)benzene
CID 107668986
[6-[(4-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106907946
1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
CID 165353497
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine
CID 18763105
N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80654917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine?
The IUPAC name of 2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine (CID 11323067) is 2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine.
What is the SMILES notation for 2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine?
The canonical SMILES for 2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine is Cc1cccc(C#CCOc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine?
The InChIKey is AAZDRULOWGVHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(2)16-9-11-18(12-10-16)20-13-5-8-17-7-4-6-15(3)19-17/h4,6-7,9-12,14H,13H2,1-3H3.
What are the key properties of 2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine?
2-methyl-6-[3-(4-propan-2-ylphenoxy)prop-1-ynyl]pyridine has a molecular weight of 265.36 g/mol, XLogP of 3.94, 3 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-propan-2-ylphenoxy)prop-1-ynyl]pyridine is sourced from PubChem (CID 11323067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).