5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde

C12H9BrO2 — CID 177268627

IUPAC5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde
SMILESCc1cc(-c2ccccc2Br)oc1C=O
InChIInChI=1S/C12H9BrO2/c1-8-6-11(15-12(8)7-14)9-4-2-3-5-10(9)13/h2-7H,1H3
InChIKeyVOLXBIBFFXJGJJ-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.83
Rot. Bonds2

About 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde

5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde (PubChem CID 177268627) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde
PubChem CID177268627
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde
SMILESCc1cc(-c2ccccc2Br)oc1C=O
InChIInChI=1S/C12H9BrO2/c1-8-6-11(15-12(8)7-14)9-4-2-3-5-10(9)13/h2-7H,1H3
InChIKeyVOLXBIBFFXJGJJ-UHFFFAOYSA-N
XLogP3.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.83
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 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde?
The IUPAC name of 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde (CID 177268627) is 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde.
What is the SMILES notation for 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde?
The canonical SMILES for 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde is Cc1cc(-c2ccccc2Br)oc1C=O.
What is the InChIKey of 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde?
The InChIKey is VOLXBIBFFXJGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c1-8-6-11(15-12(8)7-14)9-4-2-3-5-10(9)13/h2-7H,1H3.
What are the key properties of 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde?
5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde has a molecular weight of 265.11 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-methylfuran-2-carbaldehyde is sourced from PubChem (CID 177268627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).