(1-methoxycyclohexyl)-phenyldiazene

C13H18N2O — CID 11276003

IUPAC(1-methoxycyclohexyl)-phenyldiazene
SMILESCOC1(/N=N/c2ccccc2)CCCCC1
InChIInChI=1S/C13H18N2O/c1-16-13(10-6-3-7-11-13)15-14-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3/b15-14+
InChIKeyNFOXVFUREQZBHB-CCEZHUSRSA-N
MW218.30 g/mol
LogP4.08
Rot. Bonds3

About (1-methoxycyclohexyl)-phenyldiazene

(1-methoxycyclohexyl)-phenyldiazene (PubChem CID 11276003) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (1-methoxycyclohexyl)-phenyldiazene.

Molecular Properties

Compound Name(1-methoxycyclohexyl)-phenyldiazene
PubChem CID11276003
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(1-methoxycyclohexyl)-phenyldiazene
SMILESCOC1(/N=N/c2ccccc2)CCCCC1
InChIInChI=1S/C13H18N2O/c1-16-13(10-6-3-7-11-13)15-14-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3/b15-14+
InChIKeyNFOXVFUREQZBHB-CCEZHUSRSA-N
XLogP4.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.08
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-methoxycyclohexyl)-phenyldiazene?
The IUPAC name of (1-methoxycyclohexyl)-phenyldiazene (CID 11276003) is (1-methoxycyclohexyl)-phenyldiazene.
What is the SMILES notation for (1-methoxycyclohexyl)-phenyldiazene?
The canonical SMILES for (1-methoxycyclohexyl)-phenyldiazene is COC1(/N=N/c2ccccc2)CCCCC1.
What is the InChIKey of (1-methoxycyclohexyl)-phenyldiazene?
The InChIKey is NFOXVFUREQZBHB-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-13(10-6-3-7-11-13)15-14-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3/b15-14+.
What are the key properties of (1-methoxycyclohexyl)-phenyldiazene?
(1-methoxycyclohexyl)-phenyldiazene has a molecular weight of 218.30 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexyl)-phenyldiazene is sourced from PubChem (CID 11276003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).