(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone

C15H9BrCl2O2 — CID 107998411

IUPAC(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H9BrCl2O2/c16-12-6-8(1-2-13(12)18)14(19)11-7-10(17)5-9-3-4-20-15(9)11/h1-2,5-7H,3-4H2
InChIKeyKOSMXFIJLNXSIP-UHFFFAOYSA-N
MW372.05 g/mol
LogP4.92
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone

(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 107998411) has the molecular formula C15H9BrCl2O2 and a molecular weight of 372.05 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID107998411
Molecular FormulaC15H9BrCl2O2
Molecular Weight372.05 g/mol
Exact Mass369.92
IUPAC Name(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H9BrCl2O2/c16-12-6-8(1-2-13(12)18)14(19)11-7-10(17)5-9-3-4-20-15(9)11/h1-2,5-7H,3-4H2
InChIKeyKOSMXFIJLNXSIP-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.05
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544276
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-chloro-4-iodophenyl)methanone
CID 103219837
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4,5-dibromothiophen-2-yl)methanone
CID 104544748
(5-amino-2,4-dimethylphenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 102707076
(2-amino-3-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 104544267
(3-amino-5-bromo-2-methylphenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107874215
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4,6-trimethylphenyl)methanone
CID 104544697
(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 107998426
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(3-methylthiophen-2-yl)methanone
CID 113425375
(2-bromo-4-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 114025606
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone (CID 107998411) is (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone is O=C(c1ccc(Cl)c(Br)c1)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is KOSMXFIJLNXSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2O2/c16-12-6-8(1-2-13(12)18)14(19)11-7-10(17)5-9-3-4-20-15(9)11/h1-2,5-7H,3-4H2.
What are the key properties of (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone?
(3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 372.05 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 107998411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).