2-(2-methoxy-4-methylphenyl)-5-pentylpyridine

C18H23NO — CID 57131697

IUPAC2-(2-methoxy-4-methylphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(C)cc2OC)nc1
InChIInChI=1S/C18H23NO/c1-4-5-6-7-15-9-11-17(19-13-15)16-10-8-14(2)12-18(16)20-3/h8-13H,4-7H2,1-3H3
InChIKeyPDHHLAVZBXKQJV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.80
Rot. Bonds6

About 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine

2-(2-methoxy-4-methylphenyl)-5-pentylpyridine (PubChem CID 57131697) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)-5-pentylpyridine
PubChem CID57131697
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(2-methoxy-4-methylphenyl)-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(C)cc2OC)nc1
InChIInChI=1S/C18H23NO/c1-4-5-6-7-15-9-11-17(19-13-15)16-10-8-14(2)12-18(16)20-3/h8-13H,4-7H2,1-3H3
InChIKeyPDHHLAVZBXKQJV-UHFFFAOYSA-N
XLogP4.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
CID 19101131
2-(2-fluoro-4-methoxyphenyl)-5-pentylpyridine
CID 19101339
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-dodecylpyridine
CID 162214367
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
2-(1,8-dimethyldibenzofuran-4-yl)-5-octylpyridine
CID 171576858
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine
CID 19807867
3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
CID 139691046
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(3-chloro-4-pentoxyphenyl)-5-pentylpyridine
CID 21286197
2,5-bis[5-(4-hexoxybutyl)-2-pyridinyl]pyrazine
CID 22412878

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine (CID 57131697) is 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine is CCCCCc1ccc(-c2ccc(C)cc2OC)nc1.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine?
The InChIKey is PDHHLAVZBXKQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-5-6-7-15-9-11-17(19-13-15)16-10-8-14(2)12-18(16)20-3/h8-13H,4-7H2,1-3H3.
What are the key properties of 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine?
2-(2-methoxy-4-methylphenyl)-5-pentylpyridine has a molecular weight of 269.39 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)-5-pentylpyridine is sourced from PubChem (CID 57131697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).