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

C86H120N4O4 — CID 161275446

IUPAC5-[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
SMILESCCCCCCc1ccc(CCc2ccc(OC)cc2)cn1.CCCCCCc1ccc(CCc2ccc(OCC)cc2)cn1.CCCCCCc1ccc(CCc2ccc(OCCC)cc2)cn1.CCCCCCc1ccc(CCc2ccc(OCCCC)cc2)cn1
InChIInChI=1S/C23H33NO.C22H31NO.C21H29NO.C20H27NO/c1-3-5-7-8-9-22-15-12-21(19-24-22)11-10-20-13-16-23(17-14-20)25-18-6-4-2;1-3-5-6-7-8-21-14-11-20(18-23-21)10-9-19-12-15-22(16-13-19)24-17-4-2;1-3-5-6-7-8-20-14-11-19(17-22-20)10-9-18-12-15-21(16-13-18)23-4-2;1-3-4-5-6-7-19-13-10-18(16-21-19)9-8-17-11-14-20(22-2)15-12-17/h12-17,19H,3-11,18H2,1-2H3;11-16,18H,3-10,17H2,1-2H3;11-17H,3-10H2,1-2H3;10-16H,3-9H2,1-2H3
InChIKeyVEJOIAMMKZYFND-UHFFFAOYSA-N
MW1273.93 g/mol
LogP22.33
Rot. Bonds42

About 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

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 (PubChem CID 161275446) has the molecular formula C86H120N4O4 and a molecular weight of 1273.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID161275446
Molecular FormulaC86H120N4O4
Molecular Weight1273.93 g/mol
Exact Mass1272.93
IUPAC Name5-[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
SMILESCCCCCCc1ccc(CCc2ccc(OC)cc2)cn1.CCCCCCc1ccc(CCc2ccc(OCC)cc2)cn1.CCCCCCc1ccc(CCc2ccc(OCCC)cc2)cn1.CCCCCCc1ccc(CCc2ccc(OCCCC)cc2)cn1
InChIInChI=1S/C23H33NO.C22H31NO.C21H29NO.C20H27NO/c1-3-5-7-8-9-22-15-12-21(19-24-22)11-10-20-13-16-23(17-14-20)25-18-6-4-2;1-3-5-6-7-8-21-14-11-20(18-23-21)10-9-19-12-15-22(16-13-19)24-17-4-2;1-3-5-6-7-8-20-14-11-19(17-22-20)10-9-18-12-15-21(16-13-18)23-4-2;1-3-4-5-6-7-19-13-10-18(16-21-19)9-8-17-11-14-20(22-2)15-12-17/h12-17,19H,3-11,18H2,1-2H3;11-16,18H,3-10,17H2,1-2H3;11-17H,3-10H2,1-2H3;10-16H,3-9H2,1-2H3
InChIKeyVEJOIAMMKZYFND-UHFFFAOYSA-N
XLogP22.33
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds42
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001273.93
LogP ≤ 522.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830
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-butylpyridine;5-butyl-2-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine;5-butyl-2-[2-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 161494276
5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
CID 54046063
2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine
CID 54033402
2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine
CID 54513785
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 54177725
5-[2-(4-butoxyphenyl)ethyl]-2-fluoropyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-fluoropyridine;2-fluoro-5-[2-(4-propoxyphenyl)ethyl]pyridine
CID 67924037
2-[4-[4-[6-[4-(4-methylphenyl)phenoxy]hexoxy]phenyl]butyl]-5-pentoxypyridine
CID 59265403
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCc1ccc(CCc2ccc(OC)cc2)cn1.CCCCCCc1ccc(CCc2ccc(OCC)cc2)cn1.CCCCCCc1ccc(CCc2ccc(OCCC)cc2)cn1.CCCCCCc1ccc(CCc2ccc(OCCCC)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is VEJOIAMMKZYFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO.C22H31NO.C21H29NO.C20H27NO/c1-3-5-7-8-9-22-15-12-21(19-24-22)11-10-20-13-16-23(17-14-20)25-18-6-4-2;1-3-5-6-7-8-21-14-11-20(18-23-21)10-9-19-12-15-22(16-13-19)24-17-4-2;1-3-5-6-7-8-20-14-11-19(17-22-20)10-9-18-12-15-21(16-13-18)23-4-2;1-3-4-5-6-7-19-13-10-18(16-21-19)9-8-17-11-14-20(22-2)15-12-17/h12-17,19H,3-11,18H2,1-2H3;11-16,18H,3-10,17H2,1-2H3;11-17H,3-10H2,1-2H3;10-16H,3-9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1273.93 g/mol, XLogP of 22.33, 42 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161275446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).