4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

C10H9BrO2 — CID 142236889

IUPAC4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESCc1cc(C=O)c(Br)c2c1OCC2
InChIInChI=1S/C10H9BrO2/c1-6-4-7(5-12)9(11)8-2-3-13-10(6)8/h4-5H,2-3H2,1H3
InChIKeyPQFNPMKRCNCUHA-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.50
Rot. Bonds1

About 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde

4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (PubChem CID 142236889) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
PubChem CID142236889
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SMILESCc1cc(C=O)c(Br)c2c1OCC2
InChIInChI=1S/C10H9BrO2/c1-6-4-7(5-12)9(11)8-2-3-13-10(6)8/h4-5H,2-3H2,1H3
InChIKeyPQFNPMKRCNCUHA-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.50
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 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The IUPAC name of 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde (CID 142236889) is 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is Cc1cc(C=O)c(Br)c2c1OCC2.
What is the InChIKey of 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
The InChIKey is PQFNPMKRCNCUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-6-4-7(5-12)9(11)8-2-3-13-10(6)8/h4-5H,2-3H2,1H3.
What are the key properties of 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde?
4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde has a molecular weight of 241.08 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 142236889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).