2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine

C23H23NO — CID 123155239

IUPAC2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine
SMILESC=C(CCC)Oc1ccc(-c2cc(C)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H23NO/c1-4-8-18(3)25-22-13-11-19(12-14-22)21-15-17(2)24-23(16-21)20-9-6-5-7-10-20/h5-7,9-16H,3-4,8H2,1-2H3
InChIKeySMTNYDCNZVSIOT-UHFFFAOYSA-N
MW329.44 g/mol
LogP6.42
Rot. Bonds6

About 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine

2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine (PubChem CID 123155239) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine.

Molecular Properties

Compound Name2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine
PubChem CID123155239
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine
SMILESC=C(CCC)Oc1ccc(-c2cc(C)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H23NO/c1-4-8-18(3)25-22-13-11-19(12-14-22)21-15-17(2)24-23(16-21)20-9-6-5-7-10-20/h5-7,9-16H,3-4,8H2,1-2H3
InChIKeySMTNYDCNZVSIOT-UHFFFAOYSA-N
XLogP6.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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2-(2,6-Dimethyl-4-propylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine?
The IUPAC name of 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine (CID 123155239) is 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine.
What is the SMILES notation for 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine?
The canonical SMILES for 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine is C=C(CCC)Oc1ccc(-c2cc(C)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine?
The InChIKey is SMTNYDCNZVSIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-4-8-18(3)25-22-13-11-19(12-14-22)21-15-17(2)24-23(16-21)20-9-6-5-7-10-20/h5-7,9-16H,3-4,8H2,1-2H3.
What are the key properties of 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine?
2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine has a molecular weight of 329.44 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pent-1-en-2-yloxyphenyl)-6-phenylpyridine is sourced from PubChem (CID 123155239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).