(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone

C15H7Br3O2 — CID 2728236

IUPAC(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C15H7Br3O2/c16-10-3-1-8(2-4-10)14(19)13-6-9-5-11(17)7-12(18)15(9)20-13/h1-7H
InChIKeyRKRTYRYBZLXLGC-UHFFFAOYSA-N
MW458.93 g/mol
LogP5.95
Rot. Bonds2

About (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone

(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone (PubChem CID 2728236) has the molecular formula C15H7Br3O2 and a molecular weight of 458.93 g/mol. Its IUPAC name is (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone
PubChem CID2728236
Molecular FormulaC15H7Br3O2
Molecular Weight458.93 g/mol
Exact Mass455.80
IUPAC Name(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C15H7Br3O2/c16-10-3-1-8(2-4-10)14(19)13-6-9-5-11(17)7-12(18)15(9)20-13/h1-7H
InChIKeyRKRTYRYBZLXLGC-UHFFFAOYSA-N
XLogP5.95
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.93
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-dibromo-1-benzofuran-2-carboxylate
CID 7062553
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-one
CID 15350193
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
(5-bromo-7-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115962562
3-(5-bromo-7-methyl-1-benzofuran-2-carbonyl)benzonitrile
CID 115962521
(E)-3-[2-(4-bromobenzoyl)-1-benzofuran-5-yl]-2-methylprop-2-enoic acid
CID 170873362
5,7-dibromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 119451100
5,7-dibromo-N-[(Z)-(2-fluorophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 21375712
N-[(Z)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-5,7-dibromo-1-benzofuran-2-carboxamide
CID 21376056
[5-(1-amino-3-hydroxypropyl)-1-benzofuran-2-yl]-(4-bromophenyl)methanone;hydrochloride
CID 170875021

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone (CID 2728236) is (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone is O=C(c1ccc(Br)cc1)c1cc2cc(Br)cc(Br)c2o1.
What is the InChIKey of (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone?
The InChIKey is RKRTYRYBZLXLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Br3O2/c16-10-3-1-8(2-4-10)14(19)13-6-9-5-11(17)7-12(18)15(9)20-13/h1-7H.
What are the key properties of (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone?
(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone has a molecular weight of 458.93 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 2728236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).