5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one

C14H7BrCl2O2 — CID 67059910

IUPAC5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccc(Br)cc2C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7BrCl2O2/c15-7-1-4-12-10(5-7)13(14(18)19-12)9-3-2-8(16)6-11(9)17/h1-6,13H
InChIKeyMVTBNCAZOQUJGJ-UHFFFAOYSA-N
MW358.02 g/mol
LogP4.81
Rot. Bonds1

About 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one

5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one (PubChem CID 67059910) has the molecular formula C14H7BrCl2O2 and a molecular weight of 358.02 g/mol. Its IUPAC name is 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one
PubChem CID67059910
Molecular FormulaC14H7BrCl2O2
Molecular Weight358.02 g/mol
Exact Mass355.90
IUPAC Name5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccc(Br)cc2C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H7BrCl2O2/c15-7-1-4-12-10(5-7)13(14(18)19-12)9-3-2-8(16)6-11(9)17/h1-6,13H
InChIKeyMVTBNCAZOQUJGJ-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.02
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one?
The IUPAC name of 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one (CID 67059910) is 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one.
What is the SMILES notation for 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one?
The canonical SMILES for 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one is O=C1Oc2ccc(Br)cc2C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one?
The InChIKey is MVTBNCAZOQUJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2O2/c15-7-1-4-12-10(5-7)13(14(18)19-12)9-3-2-8(16)6-11(9)17/h1-6,13H.
What are the key properties of 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one?
5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one has a molecular weight of 358.02 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one is sourced from PubChem (CID 67059910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).