2-(3-bromophenyl)-3-phenyl-2H-furan-5-one

C16H11BrO2 — CID 53356245

IUPAC2-(3-bromophenyl)-3-phenyl-2H-furan-5-one
SMILESO=C1C=C(c2ccccc2)C(c2cccc(Br)c2)O1
InChIInChI=1S/C16H11BrO2/c17-13-8-4-7-12(9-13)16-14(10-15(18)19-16)11-5-2-1-3-6-11/h1-10,16H
InChIKeyNGUXZYSKUSITID-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.13
Rot. Bonds2

About 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one

2-(3-bromophenyl)-3-phenyl-2H-furan-5-one (PubChem CID 53356245) has the molecular formula C16H11BrO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-phenyl-2H-furan-5-one
PubChem CID53356245
Molecular FormulaC16H11BrO2
Molecular Weight315.17 g/mol
Exact Mass313.99
IUPAC Name2-(3-bromophenyl)-3-phenyl-2H-furan-5-one
SMILESO=C1C=C(c2ccccc2)C(c2cccc(Br)c2)O1
InChIInChI=1S/C16H11BrO2/c17-13-8-4-7-12(9-13)16-14(10-15(18)19-16)11-5-2-1-3-6-11/h1-10,16H
InChIKeyNGUXZYSKUSITID-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one?
The IUPAC name of 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one (CID 53356245) is 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one.
What is the SMILES notation for 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one?
The canonical SMILES for 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one is O=C1C=C(c2ccccc2)C(c2cccc(Br)c2)O1.
What is the InChIKey of 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one?
The InChIKey is NGUXZYSKUSITID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO2/c17-13-8-4-7-12(9-13)16-14(10-15(18)19-16)11-5-2-1-3-6-11/h1-10,16H.
What are the key properties of 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one?
2-(3-bromophenyl)-3-phenyl-2H-furan-5-one has a molecular weight of 315.17 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-phenyl-2H-furan-5-one is sourced from PubChem (CID 53356245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).