2-[8-(4-methoxyphenyl)octoxy]pyridine

C20H27NO2 — CID 57023878

IUPAC2-[8-(4-methoxyphenyl)octoxy]pyridine
SMILESCOc1ccc(CCCCCCCCOc2ccccn2)cc1
InChIInChI=1S/C20H27NO2/c1-22-19-14-12-18(13-15-19)10-6-4-2-3-5-9-17-23-20-11-7-8-16-21-20/h7-8,11-16H,2-6,9-10,17H2,1H3
InChIKeyJKJFDLQQQBFQKM-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.05
Rot. Bonds11

About 2-[8-(4-methoxyphenyl)octoxy]pyridine

2-[8-(4-methoxyphenyl)octoxy]pyridine (PubChem CID 57023878) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-[8-(4-methoxyphenyl)octoxy]pyridine.

Molecular Properties

Compound Name2-[8-(4-methoxyphenyl)octoxy]pyridine
PubChem CID57023878
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-[8-(4-methoxyphenyl)octoxy]pyridine
SMILESCOc1ccc(CCCCCCCCOc2ccccn2)cc1
InChIInChI=1S/C20H27NO2/c1-22-19-14-12-18(13-15-19)10-6-4-2-3-5-9-17-23-20-11-7-8-16-21-20/h7-8,11-16H,2-6,9-10,17H2,1H3
InChIKeyJKJFDLQQQBFQKM-UHFFFAOYSA-N
XLogP5.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.05
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

1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
2-pyridin-2-yloxyethyl N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 170312640
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
6-pyridin-2-yloxyhexane-1-thiol
CID 91150264
1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
5-[4-(4-methoxyphenyl)butoxy]-2-methylpyridine
CID 67874804
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-methoxyphenyl)octoxy]pyridine?
The IUPAC name of 2-[8-(4-methoxyphenyl)octoxy]pyridine (CID 57023878) is 2-[8-(4-methoxyphenyl)octoxy]pyridine.
What is the SMILES notation for 2-[8-(4-methoxyphenyl)octoxy]pyridine?
The canonical SMILES for 2-[8-(4-methoxyphenyl)octoxy]pyridine is COc1ccc(CCCCCCCCOc2ccccn2)cc1.
What is the InChIKey of 2-[8-(4-methoxyphenyl)octoxy]pyridine?
The InChIKey is JKJFDLQQQBFQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-22-19-14-12-18(13-15-19)10-6-4-2-3-5-9-17-23-20-11-7-8-16-21-20/h7-8,11-16H,2-6,9-10,17H2,1H3.
What are the key properties of 2-[8-(4-methoxyphenyl)octoxy]pyridine?
2-[8-(4-methoxyphenyl)octoxy]pyridine has a molecular weight of 313.44 g/mol, XLogP of 5.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-methoxyphenyl)octoxy]pyridine is sourced from PubChem (CID 57023878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).