5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran

C15H10BrCl3O — CID 104543401

IUPAC5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1ccc(C(Cl)c2cc(Br)cc3c2OCC3)cc1Cl
InChIInChI=1S/C15H10BrCl3O/c16-10-5-9-3-4-20-15(9)11(7-10)14(19)8-1-2-12(17)13(18)6-8/h1-2,5-7,14H,3-4H2
InChIKeyTZOHQKZBVNLMQV-UHFFFAOYSA-N
MW392.51 g/mol
LogP6.02
Rot. Bonds2

About 5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543401) has the molecular formula C15H10BrCl3O and a molecular weight of 392.51 g/mol. Its IUPAC name is 5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543401
Molecular FormulaC15H10BrCl3O
Molecular Weight392.51 g/mol
Exact Mass389.90
IUPAC Name5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1ccc(C(Cl)c2cc(Br)cc3c2OCC3)cc1Cl
InChIInChI=1S/C15H10BrCl3O/c16-10-5-9-3-4-20-15(9)11(7-10)14(19)8-1-2-12(17)13(18)6-8/h1-2,5-7,14H,3-4H2
InChIKeyTZOHQKZBVNLMQV-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'}

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Related Compounds

5-bromo-7-[chloro-(4-chloro-3-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 107992186
5-bromo-7-[chloro-(2,6-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543305
1-(3-bromo-4-chlorophenyl)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107998913
5-bromo-7-[chloro-(2-chloro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543417
5-bromo-7-[(2-bromo-5-methylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 104543457
5-bromo-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543301
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
5-bromo-7-(1-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran
CID 104543317
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-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543754
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543401) is 5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran is Clc1ccc(C(Cl)c2cc(Br)cc3c2OCC3)cc1Cl.
What is the InChIKey of 5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is TZOHQKZBVNLMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl3O/c16-10-5-9-3-4-20-15(9)11(7-10)14(19)8-1-2-12(17)13(18)6-8/h1-2,5-7,14H,3-4H2.
What are the key properties of 5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[chloro-(3,4-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-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).