2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine

C21H29NO2 — CID 19807929

IUPAC2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine
SMILESCCCCOc1ccc(-c2ccc(CCCOCCC)cn2)cc1
InChIInChI=1S/C21H29NO2/c1-3-5-16-24-20-11-9-19(10-12-20)21-13-8-18(17-22-21)7-6-15-23-14-4-2/h8-13,17H,3-7,14-16H2,1-2H3
InChIKeyRADVVWAUXIXDGD-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.29
Rot. Bonds11

About 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine

2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine (PubChem CID 19807929) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine
PubChem CID19807929
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine
SMILESCCCCOc1ccc(-c2ccc(CCCOCCC)cn2)cc1
InChIInChI=1S/C21H29NO2/c1-3-5-16-24-20-11-9-19(10-12-20)21-13-8-18(17-22-21)7-6-15-23-14-4-2/h8-13,17H,3-7,14-16H2,1-2H3
InChIKeyRADVVWAUXIXDGD-UHFFFAOYSA-N
XLogP5.29
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.29
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

5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
CID 19807965
5-pentyl-2-[4-(4-propoxyphenyl)phenyl]pyridine
CID 19859964
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2-(4-octylphenyl)-5-(4-pentoxybutoxy)pyridine
CID 22445600
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine?
The IUPAC name of 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine (CID 19807929) is 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine.
What is the SMILES notation for 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine?
The canonical SMILES for 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine is CCCCOc1ccc(-c2ccc(CCCOCCC)cn2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine?
The InChIKey is RADVVWAUXIXDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-3-5-16-24-20-11-9-19(10-12-20)21-13-8-18(17-22-21)7-6-15-23-14-4-2/h8-13,17H,3-7,14-16H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine?
2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine has a molecular weight of 327.47 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-5-(3-propoxypropyl)pyridine is sourced from PubChem (CID 19807929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).