(1-phenoxycyclohexyl)-propan-2-yldiazene

C15H22N2O — CID 21387326

IUPAC(1-phenoxycyclohexyl)-propan-2-yldiazene
SMILESCC(C)/N=N/C1(Oc2ccccc2)CCCCC1
InChIInChI=1S/C15H22N2O/c1-13(2)16-17-15(11-7-4-8-12-15)18-14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3/b17-16+
InChIKeyKKPVEJQHUXERLC-WUKNDPDISA-N
MW246.35 g/mol
LogP4.59
Rot. Bonds4

About (1-phenoxycyclohexyl)-propan-2-yldiazene

(1-phenoxycyclohexyl)-propan-2-yldiazene (PubChem CID 21387326) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (1-phenoxycyclohexyl)-propan-2-yldiazene.

Molecular Properties

Compound Name(1-phenoxycyclohexyl)-propan-2-yldiazene
PubChem CID21387326
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(1-phenoxycyclohexyl)-propan-2-yldiazene
SMILESCC(C)/N=N/C1(Oc2ccccc2)CCCCC1
InChIInChI=1S/C15H22N2O/c1-13(2)16-17-15(11-7-4-8-12-15)18-14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3/b17-16+
InChIKeyKKPVEJQHUXERLC-WUKNDPDISA-N
XLogP4.59
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-phenoxycyclohexyl)-propan-2-yldiazene?
The IUPAC name of (1-phenoxycyclohexyl)-propan-2-yldiazene (CID 21387326) is (1-phenoxycyclohexyl)-propan-2-yldiazene.
What is the SMILES notation for (1-phenoxycyclohexyl)-propan-2-yldiazene?
The canonical SMILES for (1-phenoxycyclohexyl)-propan-2-yldiazene is CC(C)/N=N/C1(Oc2ccccc2)CCCCC1.
What is the InChIKey of (1-phenoxycyclohexyl)-propan-2-yldiazene?
The InChIKey is KKPVEJQHUXERLC-WUKNDPDISA-N. The full InChI is InChI=1S/C15H22N2O/c1-13(2)16-17-15(11-7-4-8-12-15)18-14-9-5-3-6-10-14/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3/b17-16+.
What are the key properties of (1-phenoxycyclohexyl)-propan-2-yldiazene?
(1-phenoxycyclohexyl)-propan-2-yldiazene has a molecular weight of 246.35 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenoxycyclohexyl)-propan-2-yldiazene is sourced from PubChem (CID 21387326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).