benzo[g][1,3]benzodioxole-5-carbaldehyde

C12H8O3 — CID 12524007

IUPACbenzo[g][1,3]benzodioxole-5-carbaldehyde
SMILESO=Cc1cc2c(c3ccccc13)OCO2
InChIInChI=1S/C12H8O3/c13-6-8-5-11-12(15-7-14-11)10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKeyZEOXEWWTKRDVDV-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.38
Rot. Bonds1

About benzo[g][1,3]benzodioxole-5-carbaldehyde

benzo[g][1,3]benzodioxole-5-carbaldehyde (PubChem CID 12524007) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is benzo[g][1,3]benzodioxole-5-carbaldehyde.

Molecular Properties

Compound Namebenzo[g][1,3]benzodioxole-5-carbaldehyde
PubChem CID12524007
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Namebenzo[g][1,3]benzodioxole-5-carbaldehyde
SMILESO=Cc1cc2c(c3ccccc13)OCO2
InChIInChI=1S/C12H8O3/c13-6-8-5-11-12(15-7-14-11)10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKeyZEOXEWWTKRDVDV-UHFFFAOYSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[g][1,3]benzodioxole-5-carbaldehyde?
The IUPAC name of benzo[g][1,3]benzodioxole-5-carbaldehyde (CID 12524007) is benzo[g][1,3]benzodioxole-5-carbaldehyde.
What is the SMILES notation for benzo[g][1,3]benzodioxole-5-carbaldehyde?
The canonical SMILES for benzo[g][1,3]benzodioxole-5-carbaldehyde is O=Cc1cc2c(c3ccccc13)OCO2.
What is the InChIKey of benzo[g][1,3]benzodioxole-5-carbaldehyde?
The InChIKey is ZEOXEWWTKRDVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-6-8-5-11-12(15-7-14-11)10-4-2-1-3-9(8)10/h1-6H,7H2.
What are the key properties of benzo[g][1,3]benzodioxole-5-carbaldehyde?
benzo[g][1,3]benzodioxole-5-carbaldehyde has a molecular weight of 200.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1,3]benzodioxole-5-carbaldehyde is sourced from PubChem (CID 12524007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).