2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine

C18H19NO — CID 91371846

IUPAC2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine
SMILESCOc1cc(C)c(C=CC=Cc2ccccn2)cc1C
InChIInChI=1S/C18H19NO/c1-14-13-18(20-3)15(2)12-16(14)8-4-5-9-17-10-6-7-11-19-17/h4-13H,1-3H3
InChIKeyTVJVMYWWCJPOOE-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.43
Rot. Bonds4

About 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine

2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine (PubChem CID 91371846) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine.

Molecular Properties

Compound Name2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine
PubChem CID91371846
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine
SMILESCOc1cc(C)c(C=CC=Cc2ccccn2)cc1C
InChIInChI=1S/C18H19NO/c1-14-13-18(20-3)15(2)12-16(14)8-4-5-9-17-10-6-7-11-19-17/h4-13H,1-3H3
InChIKeyTVJVMYWWCJPOOE-UHFFFAOYSA-N
XLogP4.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine?
The IUPAC name of 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine (CID 91371846) is 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine.
What is the SMILES notation for 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine?
The canonical SMILES for 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine is COc1cc(C)c(C=CC=Cc2ccccn2)cc1C.
What is the InChIKey of 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine?
The InChIKey is TVJVMYWWCJPOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14-13-18(20-3)15(2)12-16(14)8-4-5-9-17-10-6-7-11-19-17/h4-13H,1-3H3.
What are the key properties of 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine?
2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine has a molecular weight of 265.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2,5-dimethylphenyl)buta-1,3-dienyl]pyridine is sourced from PubChem (CID 91371846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).