(4-octan-2-yloxyphenyl)-pyridin-4-yldiazene

C19H25N3O — CID 132821109

IUPAC(4-octan-2-yloxyphenyl)-pyridin-4-yldiazene
SMILESCCCCCCC(C)Oc1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C19H25N3O/c1-3-4-5-6-7-16(2)23-19-10-8-17(9-11-19)21-22-18-12-14-20-15-13-18/h8-16H,3-7H2,1-2H3/b22-21+
InChIKeyKQKZANJBOOQVAX-QURGRASLSA-N
MW311.43 g/mol
LogP6.23
Rot. Bonds9

About (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene

(4-octan-2-yloxyphenyl)-pyridin-4-yldiazene (PubChem CID 132821109) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene.

Molecular Properties

Compound Name(4-octan-2-yloxyphenyl)-pyridin-4-yldiazene
PubChem CID132821109
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(4-octan-2-yloxyphenyl)-pyridin-4-yldiazene
SMILESCCCCCCC(C)Oc1ccc(/N=N/c2ccncc2)cc1
InChIInChI=1S/C19H25N3O/c1-3-4-5-6-7-16(2)23-19-10-8-17(9-11-19)21-22-18-12-14-20-15-13-18/h8-16H,3-7H2,1-2H3/b22-21+
InChIKeyKQKZANJBOOQVAX-QURGRASLSA-N
XLogP6.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(pyridin-4-yldiazenyl)phenyl] 4-octan-2-yloxybenzoate
CID 132821111
(4-heptoxyphenyl)-pyridin-4-yldiazene
CID 132541807
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
decan-2-yloxybenzene
CID 12838331
4-heptan-2-yloxybenzenethiol
CID 19843806
(4-hexoxyphenyl)-(4-pyridin-4-ylphenyl)diazene
CID 118469809
4-[(2S)-octan-2-yl]oxybenzaldehyde
CID 29003502
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511
(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
CID 86093178
2-decyl-5-[4-[(2R)-octan-2-yl]oxyphenyl]pyridine
CID 18632504

Frequently Asked Questions

What is the IUPAC name of (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene?
The IUPAC name of (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene (CID 132821109) is (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene.
What is the SMILES notation for (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene?
The canonical SMILES for (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene is CCCCCCC(C)Oc1ccc(/N=N/c2ccncc2)cc1.
What is the InChIKey of (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene?
The InChIKey is KQKZANJBOOQVAX-QURGRASLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-4-5-6-7-16(2)23-19-10-8-17(9-11-19)21-22-18-12-14-20-15-13-18/h8-16H,3-7H2,1-2H3/b22-21+.
What are the key properties of (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene?
(4-octan-2-yloxyphenyl)-pyridin-4-yldiazene has a molecular weight of 311.43 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-octan-2-yloxyphenyl)-pyridin-4-yldiazene is sourced from PubChem (CID 132821109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).