3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine

C21H29NO — CID 143596387

IUPAC3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine
SMILESCCCCCc1ccc(OC)c(-c2cncc(CCCC)c2)c1
InChIInChI=1S/C21H29NO/c1-4-6-8-10-17-11-12-21(23-3)20(14-17)19-13-18(9-7-5-2)15-22-16-19/h11-16H,4-10H2,1-3H3
InChIKeyBVDNLKOYUAEFDU-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.83
Rot. Bonds9

About 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine

3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine (PubChem CID 143596387) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine.

Molecular Properties

Compound Name3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine
PubChem CID143596387
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine
SMILESCCCCCc1ccc(OC)c(-c2cncc(CCCC)c2)c1
InChIInChI=1S/C21H29NO/c1-4-6-8-10-17-11-12-21(23-3)20(14-17)19-13-18(9-7-5-2)15-22-16-19/h11-16H,4-10H2,1-3H3
InChIKeyBVDNLKOYUAEFDU-UHFFFAOYSA-N
XLogP5.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.83
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

1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene
CID 45267390
5-(4-pentylphenyl)pyrimidine
CID 56629303
4-hexyl-2-methoxyaniline
CID 70551686
4-(2,6-dimethoxy-4-pentylphenyl)pyridine
CID 178159447
1-methoxy-4-[12-(4-methoxy-3-phenylphenyl)dodecyl]-2-propan-2-ylbenzene
CID 11569608
1,2-dimethoxy-3-(4-pentylphenyl)benzene
CID 175313159
3-chloro-5-octylpyridine
CID 138579116
3-chloro-5-pentylpyridine
CID 59945518
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
(4-hexyl-2-phenylphenyl) hydrogen carbonate
CID 66629329
2-(3,4-dimethoxyphenyl)-1,3-dimethoxy-5-pentylbenzene
CID 178159435
2-(2-methoxy-4-methylphenyl)-5-pentylpyridine
CID 57131697

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine?
The IUPAC name of 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine (CID 143596387) is 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine.
What is the SMILES notation for 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine?
The canonical SMILES for 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine is CCCCCc1ccc(OC)c(-c2cncc(CCCC)c2)c1.
What is the InChIKey of 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine?
The InChIKey is BVDNLKOYUAEFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-4-6-8-10-17-11-12-21(23-3)20(14-17)19-13-18(9-7-5-2)15-22-16-19/h11-16H,4-10H2,1-3H3.
What are the key properties of 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine?
3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine has a molecular weight of 311.47 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(2-methoxy-5-pentylphenyl)pyridine is sourced from PubChem (CID 143596387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).