[3-(bromomethyl)furan-2-yl]-phenylmethanone

C12H9BrO2 — CID 15146339

IUPAC[3-(bromomethyl)furan-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1occc1CBr
InChIInChI=1S/C12H9BrO2/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyQXOJHOOKSIKDRS-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.41
Rot. Bonds3

About [3-(bromomethyl)furan-2-yl]-phenylmethanone

[3-(bromomethyl)furan-2-yl]-phenylmethanone (PubChem CID 15146339) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is [3-(bromomethyl)furan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(bromomethyl)furan-2-yl]-phenylmethanone
PubChem CID15146339
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name[3-(bromomethyl)furan-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1occc1CBr
InChIInChI=1S/C12H9BrO2/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyQXOJHOOKSIKDRS-UHFFFAOYSA-N
XLogP3.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)furan-2-yl]-phenylmethanone?
The IUPAC name of [3-(bromomethyl)furan-2-yl]-phenylmethanone (CID 15146339) is [3-(bromomethyl)furan-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(bromomethyl)furan-2-yl]-phenylmethanone?
The canonical SMILES for [3-(bromomethyl)furan-2-yl]-phenylmethanone is O=C(c1ccccc1)c1occc1CBr.
What is the InChIKey of [3-(bromomethyl)furan-2-yl]-phenylmethanone?
The InChIKey is QXOJHOOKSIKDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of [3-(bromomethyl)furan-2-yl]-phenylmethanone?
[3-(bromomethyl)furan-2-yl]-phenylmethanone has a molecular weight of 265.11 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)furan-2-yl]-phenylmethanone is sourced from PubChem (CID 15146339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).