(4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

C16H10Br2O4 — CID 56676936

IUPAC(4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3c(Br)cc(O)c(Br)c23)cc1
InChIInChI=1S/C16H10Br2O4/c1-21-9-4-2-8(3-5-9)15(20)10-7-22-16-11(17)6-12(19)14(18)13(10)16/h2-7,19H,1H3
InChIKeyLOHRMLKILGRBGI-UHFFFAOYSA-N
MW426.06 g/mol
LogP4.90
Rot. Bonds3

About (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 56676936) has the molecular formula C16H10Br2O4 and a molecular weight of 426.06 g/mol. Its IUPAC name is (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID56676936
Molecular FormulaC16H10Br2O4
Molecular Weight426.06 g/mol
Exact Mass423.89
IUPAC Name(4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3c(Br)cc(O)c(Br)c23)cc1
InChIInChI=1S/C16H10Br2O4/c1-21-9-4-2-8(3-5-9)15(20)10-7-22-16-11(17)6-12(19)14(18)13(10)16/h2-7,19H,1H3
InChIKeyLOHRMLKILGRBGI-UHFFFAOYSA-N
XLogP4.90
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.06
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 56676936) is (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2coc3c(Br)cc(O)c(Br)c23)cc1.
What is the InChIKey of (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is LOHRMLKILGRBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2O4/c1-21-9-4-2-8(3-5-9)15(20)10-7-22-16-11(17)6-12(19)14(18)13(10)16/h2-7,19H,1H3.
What are the key properties of (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 426.06 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dibromo-5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 56676936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).