butan-2-yl-(2,3-dimethoxyphenyl)diazene

C12H18N2O2 — CID 175398885

IUPACbutan-2-yl-(2,3-dimethoxyphenyl)diazene
SMILESCCC(C)/N=N/c1cccc(OC)c1OC
InChIInChI=1S/C12H18N2O2/c1-5-9(2)13-14-10-7-6-8-11(15-3)12(10)16-4/h6-9H,5H2,1-4H3/b14-13+
InChIKeyUDSPKCDVKJHDGX-BUHFOSPRSA-N
MW222.29 g/mol
LogP3.59
Rot. Bonds5

About butan-2-yl-(2,3-dimethoxyphenyl)diazene

butan-2-yl-(2,3-dimethoxyphenyl)diazene (PubChem CID 175398885) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is butan-2-yl-(2,3-dimethoxyphenyl)diazene.

Molecular Properties

Compound Namebutan-2-yl-(2,3-dimethoxyphenyl)diazene
PubChem CID175398885
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namebutan-2-yl-(2,3-dimethoxyphenyl)diazene
SMILESCCC(C)/N=N/c1cccc(OC)c1OC
InChIInChI=1S/C12H18N2O2/c1-5-9(2)13-14-10-7-6-8-11(15-3)12(10)16-4/h6-9H,5H2,1-4H3/b14-13+
InChIKeyUDSPKCDVKJHDGX-BUHFOSPRSA-N
XLogP3.59
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.59
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'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl-(2,3-dimethoxyphenyl)diazene?
The IUPAC name of butan-2-yl-(2,3-dimethoxyphenyl)diazene (CID 175398885) is butan-2-yl-(2,3-dimethoxyphenyl)diazene.
What is the SMILES notation for butan-2-yl-(2,3-dimethoxyphenyl)diazene?
The canonical SMILES for butan-2-yl-(2,3-dimethoxyphenyl)diazene is CCC(C)/N=N/c1cccc(OC)c1OC.
What is the InChIKey of butan-2-yl-(2,3-dimethoxyphenyl)diazene?
The InChIKey is UDSPKCDVKJHDGX-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-9(2)13-14-10-7-6-8-11(15-3)12(10)16-4/h6-9H,5H2,1-4H3/b14-13+.
What are the key properties of butan-2-yl-(2,3-dimethoxyphenyl)diazene?
butan-2-yl-(2,3-dimethoxyphenyl)diazene has a molecular weight of 222.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-(2,3-dimethoxyphenyl)diazene is sourced from PubChem (CID 175398885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).