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

C78H93N3O3 — CID 161494276

IUPAC2-[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
SMILESCCCCOc1ccc(-c2ccc(CCc3ccc(CCCC)cn3)cc2)cc1.CCCCc1ccc(CCc2ccc(-c3ccc(OCC)cc3)cc2)nc1.CCCCc1ccc(CCc2ccc(-c3ccc(OCCC)cc3)cc2)nc1
InChIInChI=1S/C27H33NO.C26H31NO.C25H29NO/c1-3-5-7-23-11-17-26(28-21-23)16-10-22-8-12-24(13-9-22)25-14-18-27(19-15-25)29-20-6-4-2;1-3-5-6-22-10-16-25(27-20-22)15-9-21-7-11-23(12-8-21)24-13-17-26(18-14-24)28-19-4-2;1-3-5-6-21-10-16-24(26-19-21)15-9-20-7-11-22(12-8-20)23-13-17-25(18-14-23)27-4-2/h8-9,11-15,17-19,21H,3-7,10,16,20H2,1-2H3;7-8,10-14,16-18,20H,3-6,9,15,19H2,1-2H3;7-8,10-14,16-19H,3-6,9,15H2,1-2H3
InChIKeyWFZNCAHTPWNNEG-UHFFFAOYSA-N
MW1120.62 g/mol
LogP20.00
Rot. Bonds30

About 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

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 (PubChem CID 161494276) has the molecular formula C78H93N3O3 and a molecular weight of 1120.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID161494276
Molecular FormulaC78H93N3O3
Molecular Weight1120.62 g/mol
Exact Mass1119.72
IUPAC Name2-[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
SMILESCCCCOc1ccc(-c2ccc(CCc3ccc(CCCC)cn3)cc2)cc1.CCCCc1ccc(CCc2ccc(-c3ccc(OCC)cc3)cc2)nc1.CCCCc1ccc(CCc2ccc(-c3ccc(OCCC)cc3)cc2)nc1
InChIInChI=1S/C27H33NO.C26H31NO.C25H29NO/c1-3-5-7-23-11-17-26(28-21-23)16-10-22-8-12-24(13-9-22)25-14-18-27(19-15-25)29-20-6-4-2;1-3-5-6-22-10-16-25(27-20-22)15-9-21-7-11-23(12-8-21)24-13-17-26(18-14-24)28-19-4-2;1-3-5-6-21-10-16-24(26-19-21)15-9-20-7-11-22(12-8-20)23-13-17-25(18-14-23)27-4-2/h8-9,11-15,17-19,21H,3-7,10,16,20H2,1-2H3;7-8,10-14,16-18,20H,3-6,9,15,19H2,1-2H3;7-8,10-14,16-19H,3-6,9,15H2,1-2H3
InChIKeyWFZNCAHTPWNNEG-UHFFFAOYSA-N
XLogP20.00
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.62
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-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
5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine
CID 54099818
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830
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-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine
CID 54033402
5-[2-(4-butoxyphenyl)ethyl]-2-fluoropyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-fluoropyridine;2-fluoro-5-[2-(4-propoxyphenyl)ethyl]pyridine
CID 67924037
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-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
CID 54046063
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
2-[4-[4-[6-[4-(4-methylphenyl)phenoxy]hexoxy]phenyl]butyl]-5-pentoxypyridine
CID 59265403

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCOc1ccc(-c2ccc(CCc3ccc(CCCC)cn3)cc2)cc1.CCCCc1ccc(CCc2ccc(-c3ccc(OCC)cc3)cc2)nc1.CCCCc1ccc(CCc2ccc(-c3ccc(OCCC)cc3)cc2)nc1.
What is the InChIKey of 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?
The InChIKey is WFZNCAHTPWNNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO.C26H31NO.C25H29NO/c1-3-5-7-23-11-17-26(28-21-23)16-10-22-8-12-24(13-9-22)25-14-18-27(19-15-25)29-20-6-4-2;1-3-5-6-22-10-16-25(27-20-22)15-9-21-7-11-23(12-8-21)24-13-17-26(18-14-24)28-19-4-2;1-3-5-6-21-10-16-24(26-19-21)15-9-20-7-11-22(12-8-20)23-13-17-25(18-14-23)27-4-2/h8-9,11-15,17-19,21H,3-7,10,16,20H2,1-2H3;7-8,10-14,16-18,20H,3-6,9,15,19H2,1-2H3;7-8,10-14,16-19H,3-6,9,15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1120.62 g/mol, XLogP of 20.00, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161494276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).