5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran

C15H10BrCl3O — CID 104543305

IUPAC5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1cccc(Cl)c1C(Cl)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H10BrCl3O/c16-9-6-8-4-5-20-15(8)10(7-9)14(19)13-11(17)2-1-3-12(13)18/h1-3,6-7,14H,4-5H2
InChIKeyGZJGPHWWHYMSSY-UHFFFAOYSA-N
MW392.51 g/mol
LogP6.02
Rot. Bonds2

About 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543305) has the molecular formula C15H10BrCl3O and a molecular weight of 392.51 g/mol. Its IUPAC name is 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543305
Molecular FormulaC15H10BrCl3O
Molecular Weight392.51 g/mol
Exact Mass389.90
IUPAC Name5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1cccc(Cl)c1C(Cl)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H10BrCl3O/c16-9-6-8-4-5-20-15(8)10(7-9)14(19)13-11(17)2-1-3-12(13)18/h1-3,6-7,14H,4-5H2
InChIKeyGZJGPHWWHYMSSY-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543401
5-bromo-7-[chloro-(2-chloro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543417
5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 107992186
5-bromo-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543301
5-bromo-7-[1-bromo-2-(2-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran
CID 104543644
5-bromo-7-[(2-bromo-5-methylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 104543457
5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 113425206
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(2-chlorophenyl)methyl]ethanamine
CID 104541804
5-bromo-7-(1-chloro-2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 104543460
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine
CID 104545363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543305) is 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran is Clc1cccc(Cl)c1C(Cl)c1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is GZJGPHWWHYMSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl3O/c16-9-6-8-4-5-20-15(8)10(7-9)14(19)13-11(17)2-1-3-12(13)18/h1-3,6-7,14H,4-5H2.
What are the key properties of 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 392.51 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).