8-bromodibenzofuran-2-carbaldehyde

C13H7BrO2 — CID 23559412

IUPAC8-bromodibenzofuran-2-carbaldehyde
SMILESO=Cc1ccc2oc3ccc(Br)cc3c2c1
InChIInChI=1S/C13H7BrO2/c14-9-2-4-13-11(6-9)10-5-8(7-15)1-3-12(10)16-13/h1-7H
InChIKeyPVCAGEUFQWUTAL-UHFFFAOYSA-N
MW275.10 g/mol
LogP4.16
Rot. Bonds1

About 8-bromodibenzofuran-2-carbaldehyde

8-bromodibenzofuran-2-carbaldehyde (PubChem CID 23559412) has the molecular formula C13H7BrO2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 8-bromodibenzofuran-2-carbaldehyde.

Molecular Properties

Compound Name8-bromodibenzofuran-2-carbaldehyde
PubChem CID23559412
Molecular FormulaC13H7BrO2
Molecular Weight275.10 g/mol
Exact Mass273.96
IUPAC Name8-bromodibenzofuran-2-carbaldehyde
SMILESO=Cc1ccc2oc3ccc(Br)cc3c2c1
InChIInChI=1S/C13H7BrO2/c14-9-2-4-13-11(6-9)10-5-8(7-15)1-3-12(10)16-13/h1-7H
InChIKeyPVCAGEUFQWUTAL-UHFFFAOYSA-N
XLogP4.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromodibenzofuran-2-carbaldehyde?
The IUPAC name of 8-bromodibenzofuran-2-carbaldehyde (CID 23559412) is 8-bromodibenzofuran-2-carbaldehyde.
What is the SMILES notation for 8-bromodibenzofuran-2-carbaldehyde?
The canonical SMILES for 8-bromodibenzofuran-2-carbaldehyde is O=Cc1ccc2oc3ccc(Br)cc3c2c1.
What is the InChIKey of 8-bromodibenzofuran-2-carbaldehyde?
The InChIKey is PVCAGEUFQWUTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrO2/c14-9-2-4-13-11(6-9)10-5-8(7-15)1-3-12(10)16-13/h1-7H.
What are the key properties of 8-bromodibenzofuran-2-carbaldehyde?
8-bromodibenzofuran-2-carbaldehyde has a molecular weight of 275.10 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromodibenzofuran-2-carbaldehyde is sourced from PubChem (CID 23559412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).