[2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene

C20H22N2O2 — CID 89405516

IUPAC[2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene
SMILESC=C(C)COc1ccc(/N=N/c2ccccc2OCC(=C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-15(2)13-23-18-11-9-17(10-12-18)21-22-19-7-5-6-8-20(19)24-14-16(3)4/h5-12H,1,3,13-14H2,2,4H3/b22-21+
InChIKeyFSTYZDQNQBYDRG-QURGRASLSA-N
MW322.41 g/mol
LogP6.01
Rot. Bonds8

About [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene

[2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene (PubChem CID 89405516) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene
PubChem CID89405516
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name[2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene
SMILESC=C(C)COc1ccc(/N=N/c2ccccc2OCC(=C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-15(2)13-23-18-11-9-17(10-12-18)21-22-19-7-5-6-8-20(19)24-14-16(3)4/h5-12H,1,3,13-14H2,2,4H3/b22-21+
InChIKeyFSTYZDQNQBYDRG-QURGRASLSA-N
XLogP6.01
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol
CID 139076124
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
CID 139631745
1-(2-methylprop-2-enoxy)-2-phenylbenzene
CID 70267118
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
[4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54793590
1-ethynyl-2-(2-methylprop-2-enoxy)benzene
CID 11789677
9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
CID 18704292
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806
2-(4-ethylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113216
trifluoro-[4-(2-methylprop-2-enoxy)phenyl]boranuide
CID 63677686

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene?
The IUPAC name of [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene (CID 89405516) is [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene.
What is the SMILES notation for [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene?
The canonical SMILES for [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene is C=C(C)COc1ccc(/N=N/c2ccccc2OCC(=C)C)cc1.
What is the InChIKey of [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene?
The InChIKey is FSTYZDQNQBYDRG-QURGRASLSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(2)13-23-18-11-9-17(10-12-18)21-22-19-7-5-6-8-20(19)24-14-16(3)4/h5-12H,1,3,13-14H2,2,4H3/b22-21+.
What are the key properties of [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene?
[2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene has a molecular weight of 322.41 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoxy)phenyl]-[4-(2-methylprop-2-enoxy)phenyl]diazene is sourced from PubChem (CID 89405516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).