5-(bromomethyl)-3,3-diphenylfuran-2-one

C17H13BrO2 — CID 10359187

IUPAC5-(bromomethyl)-3,3-diphenylfuran-2-one
SMILESO=C1OC(CBr)=CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13BrO2/c18-12-15-11-17(16(19)20-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyOZLBLBUPXDCQPJ-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.81
Rot. Bonds3

About 5-(bromomethyl)-3,3-diphenylfuran-2-one

5-(bromomethyl)-3,3-diphenylfuran-2-one (PubChem CID 10359187) has the molecular formula C17H13BrO2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-(bromomethyl)-3,3-diphenylfuran-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3,3-diphenylfuran-2-one
PubChem CID10359187
Molecular FormulaC17H13BrO2
Molecular Weight329.19 g/mol
Exact Mass328.01
IUPAC Name5-(bromomethyl)-3,3-diphenylfuran-2-one
SMILESO=C1OC(CBr)=CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13BrO2/c18-12-15-11-17(16(19)20-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2
InChIKeyOZLBLBUPXDCQPJ-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.81
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 5-(bromomethyl)-3,3-diphenylfuran-2-one?
The IUPAC name of 5-(bromomethyl)-3,3-diphenylfuran-2-one (CID 10359187) is 5-(bromomethyl)-3,3-diphenylfuran-2-one.
What is the SMILES notation for 5-(bromomethyl)-3,3-diphenylfuran-2-one?
The canonical SMILES for 5-(bromomethyl)-3,3-diphenylfuran-2-one is O=C1OC(CBr)=CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(bromomethyl)-3,3-diphenylfuran-2-one?
The InChIKey is OZLBLBUPXDCQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO2/c18-12-15-11-17(16(19)20-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H,12H2.
What are the key properties of 5-(bromomethyl)-3,3-diphenylfuran-2-one?
5-(bromomethyl)-3,3-diphenylfuran-2-one has a molecular weight of 329.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3,3-diphenylfuran-2-one is sourced from PubChem (CID 10359187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).