5-(4-ethylphenyl)-2-pentoxypyridine

C18H23NO — CID 138716515

IUPAC5-(4-ethylphenyl)-2-pentoxypyridine
SMILESCCCCCOc1ccc(-c2ccc(CC)cc2)cn1
InChIInChI=1S/C18H23NO/c1-3-5-6-13-20-18-12-11-17(14-19-18)16-9-7-15(4-2)8-10-16/h7-12,14H,3-6,13H2,1-2H3
InChIKeyYWHGVBKMJMHSPP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.88
Rot. Bonds7

About 5-(4-ethylphenyl)-2-pentoxypyridine

5-(4-ethylphenyl)-2-pentoxypyridine (PubChem CID 138716515) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-2-pentoxypyridine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-2-pentoxypyridine
PubChem CID138716515
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name5-(4-ethylphenyl)-2-pentoxypyridine
SMILESCCCCCOc1ccc(-c2ccc(CC)cc2)cn1
InChIInChI=1S/C18H23NO/c1-3-5-6-13-20-18-12-11-17(14-19-18)16-9-7-15(4-2)8-10-16/h7-12,14H,3-6,13H2,1-2H3
InChIKeyYWHGVBKMJMHSPP-UHFFFAOYSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.88
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-(6-octoxy-3-pyridinyl)pyrimidin-5-ol
CID 19389361
N-[(6-hexoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290039
2-(4-butoxybutoxy)-5-[6-(4-butoxybutoxy)-3-pyridinyl]pyrazine
CID 22412891
5-[4-(chloromethyl)phenyl]-2-ethoxypyridine
CID 67173780
2-(6-octoxy-3-pyridinyl)-5-(4-phenylmethoxyphenyl)pyrazine
CID 22412778
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
ethane;5-ethyl-2-(2-methoxyethoxy)pyridine
CID 144506975
2-fluoro-5-[4-(4-pentoxyphenyl)phenyl]pyridine
CID 19765813
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
1,4-diethylbenzene;heptane
CID 175370860
5-[4-(4-ethylphenyl)phenyl]-2-propylpyridine
CID 19859804
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-2-pentoxypyridine?
The IUPAC name of 5-(4-ethylphenyl)-2-pentoxypyridine (CID 138716515) is 5-(4-ethylphenyl)-2-pentoxypyridine.
What is the SMILES notation for 5-(4-ethylphenyl)-2-pentoxypyridine?
The canonical SMILES for 5-(4-ethylphenyl)-2-pentoxypyridine is CCCCCOc1ccc(-c2ccc(CC)cc2)cn1.
What is the InChIKey of 5-(4-ethylphenyl)-2-pentoxypyridine?
The InChIKey is YWHGVBKMJMHSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-5-6-13-20-18-12-11-17(14-19-18)16-9-7-15(4-2)8-10-16/h7-12,14H,3-6,13H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-2-pentoxypyridine?
5-(4-ethylphenyl)-2-pentoxypyridine has a molecular weight of 269.39 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-2-pentoxypyridine is sourced from PubChem (CID 138716515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).