5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine

C22H31NO — CID 54046063

IUPAC5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
SMILESCCCCCCOc1ccc(CCc2ccc(CCC)nc2)cc1
InChIInChI=1S/C22H31NO/c1-3-5-6-7-17-24-22-15-12-19(13-16-22)9-10-20-11-14-21(8-4-2)23-18-20/h11-16,18H,3-10,17H2,1-2H3
InChIKeyLPRCZQADEHFTSM-UHFFFAOYSA-N
MW325.50 g/mol
LogP5.78
Rot. Bonds11

About 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine

5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine (PubChem CID 54046063) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine.

Molecular Properties

Compound Name5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
PubChem CID54046063
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
SMILESCCCCCCOc1ccc(CCc2ccc(CCC)nc2)cc1
InChIInChI=1S/C22H31NO/c1-3-5-6-7-17-24-22-15-12-19(13-16-22)9-10-20-11-14-21(8-4-2)23-18-20/h11-16,18H,3-10,17H2,1-2H3
InChIKeyLPRCZQADEHFTSM-UHFFFAOYSA-N
XLogP5.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.50
LogP ≤ 55.78
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

5-[2-(4-heptoxyphenyl)ethyl]-2-hexylpyridine;5-[2-(4-hexoxyphenyl)ethyl]-2-hexylpyridine;2-hexyl-5-[2-(4-octoxyphenyl)ethyl]pyridine
CID 158949131
5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine
CID 54099818
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 54177725
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830
1-nonoxy-4-propylbenzene
CID 118632119
5-[2-(4-butoxyphenyl)ethyl]-2-hexylpyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-hexylpyridine;2-hexyl-5-[2-(4-methoxyphenyl)ethyl]pyridine;2-hexyl-5-[2-(4-propoxyphenyl)ethyl]pyridine
CID 161275446
2-[2-(4-butoxyphenyl)ethyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethyl]-5-ethylpyridine;5-ethyl-2-[2-(4-heptoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-hexoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-methoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-nonoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-octoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-propoxyphenyl)ethyl]pyridine
CID 173405194
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
1-hexoxy-4-pentylbenzene
CID 54277450
2-[4-[4-[6-[4-(4-methylphenyl)phenoxy]hexoxy]phenyl]butyl]-5-pentoxypyridine
CID 59265403
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-butylpyridine;5-butyl-2-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine;5-butyl-2-[2-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 161494276
2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine
CID 54513785

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine?
The IUPAC name of 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine (CID 54046063) is 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine.
What is the SMILES notation for 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine?
The canonical SMILES for 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine is CCCCCCOc1ccc(CCc2ccc(CCC)nc2)cc1.
What is the InChIKey of 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine?
The InChIKey is LPRCZQADEHFTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c1-3-5-6-7-17-24-22-15-12-19(13-16-22)9-10-20-11-14-21(8-4-2)23-18-20/h11-16,18H,3-10,17H2,1-2H3.
What are the key properties of 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine?
5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine has a molecular weight of 325.50 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine is sourced from PubChem (CID 54046063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).