4-methyl-2-(2-octoxyphenyl)pyridine

C20H27NO — CID 158540184

IUPAC4-methyl-2-(2-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccccc1-c1cc(C)ccn1
InChIInChI=1S/C20H27NO/c1-3-4-5-6-7-10-15-22-20-12-9-8-11-18(20)19-16-17(2)13-14-21-19/h8-9,11-14,16H,3-7,10,15H2,1-2H3
InChIKeySHIPASACAPIVFZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.80
Rot. Bonds9

About 4-methyl-2-(2-octoxyphenyl)pyridine

4-methyl-2-(2-octoxyphenyl)pyridine (PubChem CID 158540184) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-methyl-2-(2-octoxyphenyl)pyridine.

Molecular Properties

Compound Name4-methyl-2-(2-octoxyphenyl)pyridine
PubChem CID158540184
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-methyl-2-(2-octoxyphenyl)pyridine
SMILESCCCCCCCCOc1ccccc1-c1cc(C)ccn1
InChIInChI=1S/C20H27NO/c1-3-4-5-6-7-10-15-22-20-12-9-8-11-18(20)19-16-17(2)13-14-21-19/h8-9,11-14,16H,3-7,10,15H2,1-2H3
InChIKeySHIPASACAPIVFZ-UHFFFAOYSA-N
XLogP5.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.80
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

4-methyl-2-(3-methyl-2-octoxyphenyl)pyridine
CID 158540185
2-heptyl-4-(2-nonoxyphenyl)pyrimidine
CID 19103426
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
1-octadecoxy-2-phenylbenzene
CID 70983974
[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 54847198
1-methyl-2-pentadecoxybenzene
CID 154641785
5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91023938
N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-octoxyphenyl)pyridine?
The IUPAC name of 4-methyl-2-(2-octoxyphenyl)pyridine (CID 158540184) is 4-methyl-2-(2-octoxyphenyl)pyridine.
What is the SMILES notation for 4-methyl-2-(2-octoxyphenyl)pyridine?
The canonical SMILES for 4-methyl-2-(2-octoxyphenyl)pyridine is CCCCCCCCOc1ccccc1-c1cc(C)ccn1.
What is the InChIKey of 4-methyl-2-(2-octoxyphenyl)pyridine?
The InChIKey is SHIPASACAPIVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-4-5-6-7-10-15-22-20-12-9-8-11-18(20)19-16-17(2)13-14-21-19/h8-9,11-14,16H,3-7,10,15H2,1-2H3.
What are the key properties of 4-methyl-2-(2-octoxyphenyl)pyridine?
4-methyl-2-(2-octoxyphenyl)pyridine has a molecular weight of 297.44 g/mol, XLogP of 5.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-octoxyphenyl)pyridine is sourced from PubChem (CID 158540184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).