2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine

C21H29NO2 — CID 19807867

IUPAC2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine
SMILESCCCCCCOc1ccccc1-c1ccc(CCCOC)cn1
InChIInChI=1S/C21H29NO2/c1-3-4-5-8-16-24-21-12-7-6-11-19(21)20-14-13-18(17-22-20)10-9-15-23-2/h6-7,11-14,17H,3-5,8-10,15-16H2,1-2H3
InChIKeySYYGRGOEGHJBNI-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.29
Rot. Bonds11

About 2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine

2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine (PubChem CID 19807867) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine.

Molecular Properties

Compound Name2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine
PubChem CID19807867
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine
SMILESCCCCCCOc1ccccc1-c1ccc(CCCOC)cn1
InChIInChI=1S/C21H29NO2/c1-3-4-5-8-16-24-21-12-7-6-11-19(21)20-14-13-18(17-22-20)10-9-15-23-2/h6-7,11-14,17H,3-5,8-10,15-16H2,1-2H3
InChIKeySYYGRGOEGHJBNI-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

2-(2-hexoxyphenyl)-5-octylpyrimidine
CID 19840010
2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
2-[4-(5-heptyl-2-pyridinyl)phenyl]-5-(8-methoxyoctyl)pyrimidine
CID 139621555
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
2,5-bis[5-(4-hexoxybutyl)-2-pyridinyl]pyrazine
CID 22412878
2-(2-methoxy-4-methylphenyl)-5-pentylpyridine
CID 57131697
5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
CID 22445595
3-dodecoxy-6-[2-(2-methylbutoxy)phenyl]pyridazine
CID 19909361
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
5-(3-butoxypropyl)-2-(4-decoxyphenyl)pyridine
CID 19807965
2-heptyl-4-(2-nonoxyphenyl)pyrimidine
CID 19103426

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine?
The IUPAC name of 2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine (CID 19807867) is 2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine.
What is the SMILES notation for 2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine?
The canonical SMILES for 2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine is CCCCCCOc1ccccc1-c1ccc(CCCOC)cn1.
What is the InChIKey of 2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine?
The InChIKey is SYYGRGOEGHJBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-3-4-5-8-16-24-21-12-7-6-11-19(21)20-14-13-18(17-22-20)10-9-15-23-2/h6-7,11-14,17H,3-5,8-10,15-16H2,1-2H3.
What are the key properties of 2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine?
2-(2-hexoxyphenyl)-5-(3-methoxypropyl)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-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine is sourced from PubChem (CID 19807867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).