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

C15H10BrCl3O — CID 107992197

IUPAC7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1ccc(C(Cl)c2cc(Cl)cc3c2OCC3)c(Br)c1
InChIInChI=1S/C15H10BrCl3O/c16-13-7-9(17)1-2-11(13)14(19)12-6-10(18)5-8-3-4-20-15(8)12/h1-2,5-7,14H,3-4H2
InChIKeyRZUOPMRAOBZMRO-UHFFFAOYSA-N
MW392.51 g/mol
LogP6.02
Rot. Bonds2

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

7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran (PubChem CID 107992197) has the molecular formula C15H10BrCl3O and a molecular weight of 392.51 g/mol. Its IUPAC name is 7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran
PubChem CID107992197
Molecular FormulaC15H10BrCl3O
Molecular Weight392.51 g/mol
Exact Mass389.90
IUPAC Name7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran
SMILESClc1ccc(C(Cl)c2cc(Cl)cc3c2OCC3)c(Br)c1
InChIInChI=1S/C15H10BrCl3O/c16-13-7-9(17)1-2-11(13)14(19)12-6-10(18)5-8-3-4-20-15(8)12/h1-2,5-7,14H,3-4H2
InChIKeyRZUOPMRAOBZMRO-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

(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 107987609
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543754
5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543711
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
5-chloro-7-[chloro-(3-iodophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543876
7-[1-bromo-2-(4-bromophenyl)ethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544050
7-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 114560746
(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 104545223
1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 104545501
5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543561
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran (CID 107992197) is 7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran is Clc1ccc(C(Cl)c2cc(Cl)cc3c2OCC3)c(Br)c1.
What is the InChIKey of 7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is RZUOPMRAOBZMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl3O/c16-13-7-9(17)1-2-11(13)14(19)12-6-10(18)5-8-3-4-20-15(8)12/h1-2,5-7,14H,3-4H2.
What are the key properties of 7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran?
7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-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 7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 107992197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).