(3-butyl-4-ethoxyphenyl)-phenyldiazene

C18H22N2O — CID 20571993

IUPAC(3-butyl-4-ethoxyphenyl)-phenyldiazene
SMILESCCCCc1cc(/N=N/c2ccccc2)ccc1OCC
InChIInChI=1S/C18H22N2O/c1-3-5-9-15-14-17(12-13-18(15)21-4-2)20-19-16-10-7-6-8-11-16/h6-8,10-14H,3-5,9H2,1-2H3/b20-19+
InChIKeyJRULBGNIDDCKGY-FMQUCBEESA-N
MW282.39 g/mol
LogP5.84
Rot. Bonds7

About (3-butyl-4-ethoxyphenyl)-phenyldiazene

(3-butyl-4-ethoxyphenyl)-phenyldiazene (PubChem CID 20571993) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (3-butyl-4-ethoxyphenyl)-phenyldiazene.

Molecular Properties

Compound Name(3-butyl-4-ethoxyphenyl)-phenyldiazene
PubChem CID20571993
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(3-butyl-4-ethoxyphenyl)-phenyldiazene
SMILESCCCCc1cc(/N=N/c2ccccc2)ccc1OCC
InChIInChI=1S/C18H22N2O/c1-3-5-9-15-14-17(12-13-18(15)21-4-2)20-19-16-10-7-6-8-11-16/h6-8,10-14H,3-5,9H2,1-2H3/b20-19+
InChIKeyJRULBGNIDDCKGY-FMQUCBEESA-N
XLogP5.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.84
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 (3-butyl-4-ethoxyphenyl)-phenyldiazene?
The IUPAC name of (3-butyl-4-ethoxyphenyl)-phenyldiazene (CID 20571993) is (3-butyl-4-ethoxyphenyl)-phenyldiazene.
What is the SMILES notation for (3-butyl-4-ethoxyphenyl)-phenyldiazene?
The canonical SMILES for (3-butyl-4-ethoxyphenyl)-phenyldiazene is CCCCc1cc(/N=N/c2ccccc2)ccc1OCC.
What is the InChIKey of (3-butyl-4-ethoxyphenyl)-phenyldiazene?
The InChIKey is JRULBGNIDDCKGY-FMQUCBEESA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-5-9-15-14-17(12-13-18(15)21-4-2)20-19-16-10-7-6-8-11-16/h6-8,10-14H,3-5,9H2,1-2H3/b20-19+.
What are the key properties of (3-butyl-4-ethoxyphenyl)-phenyldiazene?
(3-butyl-4-ethoxyphenyl)-phenyldiazene has a molecular weight of 282.39 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-4-ethoxyphenyl)-phenyldiazene is sourced from PubChem (CID 20571993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).