(3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene

C12H16N2O — CID 100938538

IUPAC(3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene
SMILESC=Cc1cccc(/N=N/C(C)(C)OC)c1
InChIInChI=1S/C12H16N2O/c1-5-10-7-6-8-11(9-10)13-14-12(2,3)15-4/h5-9H,1H2,2-4H3/b14-13+
InChIKeyHMTOYXMVOCGVTK-BUHFOSPRSA-N
MW204.27 g/mol
LogP3.80
Rot. Bonds4

About (3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene

(3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene (PubChem CID 100938538) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene.

Molecular Properties

Compound Name(3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene
PubChem CID100938538
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene
SMILESC=Cc1cccc(/N=N/C(C)(C)OC)c1
InChIInChI=1S/C12H16N2O/c1-5-10-7-6-8-11(9-10)13-14-12(2,3)15-4/h5-9H,1H2,2-4H3/b14-13+
InChIKeyHMTOYXMVOCGVTK-BUHFOSPRSA-N
XLogP3.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.80
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-ethenylphenyl)-(2-methoxypropan-2-yl)diazene?
The IUPAC name of (3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene (CID 100938538) is (3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene.
What is the SMILES notation for (3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene?
The canonical SMILES for (3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene is C=Cc1cccc(/N=N/C(C)(C)OC)c1.
What is the InChIKey of (3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene?
The InChIKey is HMTOYXMVOCGVTK-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H16N2O/c1-5-10-7-6-8-11(9-10)13-14-12(2,3)15-4/h5-9H,1H2,2-4H3/b14-13+.
What are the key properties of (3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene?
(3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene has a molecular weight of 204.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylphenyl)-(2-methoxypropan-2-yl)diazene is sourced from PubChem (CID 100938538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).