4-(2,6-dimethoxy-4-pentylphenyl)pyridine

C18H23NO2 — CID 178159447

IUPAC4-(2,6-dimethoxy-4-pentylphenyl)pyridine
SMILESCCCCCc1cc(OC)c(-c2ccncc2)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-5-6-7-14-12-16(20-2)18(17(13-14)21-3)15-8-10-19-11-9-15/h8-13H,4-7H2,1-3H3
InChIKeyARKMKBYSUNNLIQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.50
Rot. Bonds7

About 4-(2,6-dimethoxy-4-pentylphenyl)pyridine

4-(2,6-dimethoxy-4-pentylphenyl)pyridine (PubChem CID 178159447) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(2,6-dimethoxy-4-pentylphenyl)pyridine.

Molecular Properties

Compound Name4-(2,6-dimethoxy-4-pentylphenyl)pyridine
PubChem CID178159447
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-(2,6-dimethoxy-4-pentylphenyl)pyridine
SMILESCCCCCc1cc(OC)c(-c2ccncc2)c(OC)c1
InChIInChI=1S/C18H23NO2/c1-4-5-6-7-14-12-16(20-2)18(17(13-14)21-3)15-8-10-19-11-9-15/h8-13H,4-7H2,1-3H3
InChIKeyARKMKBYSUNNLIQ-UHFFFAOYSA-N
XLogP4.50
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-1,3-dimethoxy-5-pentylbenzene
CID 178159435
2-bromo-1,3-dimethoxy-5-pentylbenzene
CID 14964361
2,6-dimethoxy-4-pentylphenol
CID 22625510
5-methoxy-7-pentyl-3-(pyridin-4-ylmethyl)chromen-2-one
CID 164626287
CID 66930918
CID 66930918
3-methoxy-4-pentylpyridine
CID 170214218
(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate
CID 24851364
4-hexyl-2-methoxyaniline
CID 70551686
formamide;2-methoxy-1-methyl-4-pentylbenzene
CID 142217487
7-methoxy-5-pentyl-1-benzofuran
CID 70233680
2-ethyl-3-methoxy-5-pentylphenol
CID 123850544
5-heptadecyl-2,3-dimethoxyphenol
CID 11794867

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxy-4-pentylphenyl)pyridine?
The IUPAC name of 4-(2,6-dimethoxy-4-pentylphenyl)pyridine (CID 178159447) is 4-(2,6-dimethoxy-4-pentylphenyl)pyridine.
What is the SMILES notation for 4-(2,6-dimethoxy-4-pentylphenyl)pyridine?
The canonical SMILES for 4-(2,6-dimethoxy-4-pentylphenyl)pyridine is CCCCCc1cc(OC)c(-c2ccncc2)c(OC)c1.
What is the InChIKey of 4-(2,6-dimethoxy-4-pentylphenyl)pyridine?
The InChIKey is ARKMKBYSUNNLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-5-6-7-14-12-16(20-2)18(17(13-14)21-3)15-8-10-19-11-9-15/h8-13H,4-7H2,1-3H3.
What are the key properties of 4-(2,6-dimethoxy-4-pentylphenyl)pyridine?
4-(2,6-dimethoxy-4-pentylphenyl)pyridine has a molecular weight of 285.39 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxy-4-pentylphenyl)pyridine is sourced from PubChem (CID 178159447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).