6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde

C9H7BrO2 — CID 89293761

IUPAC6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde
SMILESO=CC1Cc2ccc(Br)cc2O1
InChIInChI=1S/C9H7BrO2/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-2,4-5,8H,3H2
InChIKeyXKPFDIIJVOKAKN-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.95
Rot. Bonds1

About 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde

6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde (PubChem CID 89293761) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde
PubChem CID89293761
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde
SMILESO=CC1Cc2ccc(Br)cc2O1
InChIInChI=1S/C9H7BrO2/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-2,4-5,8H,3H2
InChIKeyXKPFDIIJVOKAKN-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.95
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 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde?
The IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde (CID 89293761) is 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde is O=CC1Cc2ccc(Br)cc2O1.
What is the InChIKey of 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde?
The InChIKey is XKPFDIIJVOKAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-2,4-5,8H,3H2.
What are the key properties of 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde?
6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde has a molecular weight of 227.06 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 89293761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).