4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol

C15H10Br2O2 — CID 3479414

IUPAC4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol
SMILESCc1oc2cc(Br)c(O)c(Br)c2c1-c1ccccc1
InChIInChI=1S/C15H10Br2O2/c1-8-12(9-5-3-2-4-6-9)13-11(19-8)7-10(16)15(18)14(13)17/h2-7,18H,1H3
InChIKeyUTYCIVCXGIJYGW-UHFFFAOYSA-N
MW382.05 g/mol
LogP5.64
Rot. Bonds1

About 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol

4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol (PubChem CID 3479414) has the molecular formula C15H10Br2O2 and a molecular weight of 382.05 g/mol. Its IUPAC name is 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol.

Molecular Properties

Compound Name4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol
PubChem CID3479414
Molecular FormulaC15H10Br2O2
Molecular Weight382.05 g/mol
Exact Mass379.90
IUPAC Name4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol
SMILESCc1oc2cc(Br)c(O)c(Br)c2c1-c1ccccc1
InChIInChI=1S/C15H10Br2O2/c1-8-12(9-5-3-2-4-6-9)13-11(19-8)7-10(16)15(18)14(13)17/h2-7,18H,1H3
InChIKeyUTYCIVCXGIJYGW-UHFFFAOYSA-N
XLogP5.64
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.05
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol?
The IUPAC name of 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol (CID 3479414) is 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol.
What is the SMILES notation for 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol?
The canonical SMILES for 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol is Cc1oc2cc(Br)c(O)c(Br)c2c1-c1ccccc1.
What is the InChIKey of 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol?
The InChIKey is UTYCIVCXGIJYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2O2/c1-8-12(9-5-3-2-4-6-9)13-11(19-8)7-10(16)15(18)14(13)17/h2-7,18H,1H3.
What are the key properties of 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol?
4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol has a molecular weight of 382.05 g/mol, XLogP of 5.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-methyl-3-phenyl-1-benzofuran-5-ol is sourced from PubChem (CID 3479414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).