5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran

C15H11Br2ClO — CID 113425206

IUPAC5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1cccc(C(Br)c2cc(Br)cc3c2OCC3)c1
InChIInChI=1S/C15H11Br2ClO/c16-11-6-10-4-5-19-15(10)13(8-11)14(17)9-2-1-3-12(18)7-9/h1-3,6-8,14H,4-5H2
InChIKeyYFDSRTCWHVFTQA-UHFFFAOYSA-N
MW402.51 g/mol
LogP5.52
Rot. Bonds2

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

5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 113425206) has the molecular formula C15H11Br2ClO and a molecular weight of 402.51 g/mol. Its IUPAC name is 5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID113425206
Molecular FormulaC15H11Br2ClO
Molecular Weight402.51 g/mol
Exact Mass399.89
IUPAC Name5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1cccc(C(Br)c2cc(Br)cc3c2OCC3)c1
InChIInChI=1S/C15H11Br2ClO/c16-11-6-10-4-5-19-15(10)13(8-11)14(17)9-2-1-3-12(18)7-9/h1-3,6-8,14H,4-5H2
InChIKeyYFDSRTCWHVFTQA-UHFFFAOYSA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 104541669
5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543561
5-bromo-7-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543484
5-bromo-7-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543622
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049
5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543305
7-[bromo-(3-chloro-5-methylphenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544026
5-bromo-7-[bromo-(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543607
5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543401
5-bromo-7-[bromo-(5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543596
5-bromo-7-[1-bromo-2-(2-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran
CID 104543644
5-bromo-7-[chloro-(2-chloro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543417

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 113425206) is 5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran is Clc1cccc(C(Br)c2cc(Br)cc3c2OCC3)c1.
What is the InChIKey of 5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is YFDSRTCWHVFTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClO/c16-11-6-10-4-5-19-15(10)13(8-11)14(17)9-2-1-3-12(18)7-9/h1-3,6-8,14H,4-5H2.
What are the key properties of 5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 402.51 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[bromo-(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 113425206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).