1,9-dibromo-2,8-dimethoxydibenzofuran

C14H10Br2O3 — CID 4060876

IUPAC1,9-dibromo-2,8-dimethoxydibenzofuran
SMILESCOc1ccc2oc3ccc(OC)c(Br)c3c2c1Br
InChIInChI=1S/C14H10Br2O3/c1-17-9-5-3-7-11(13(9)15)12-8(19-7)4-6-10(18-2)14(12)16/h3-6H,1-2H3
InChIKeyMNHOLBJNRVWNRV-UHFFFAOYSA-N
MW386.04 g/mol
LogP5.13
Rot. Bonds2

About 1,9-dibromo-2,8-dimethoxydibenzofuran

1,9-dibromo-2,8-dimethoxydibenzofuran (PubChem CID 4060876) has the molecular formula C14H10Br2O3 and a molecular weight of 386.04 g/mol. Its IUPAC name is 1,9-dibromo-2,8-dimethoxydibenzofuran.

Molecular Properties

Compound Name1,9-dibromo-2,8-dimethoxydibenzofuran
PubChem CID4060876
Molecular FormulaC14H10Br2O3
Molecular Weight386.04 g/mol
Exact Mass383.90
IUPAC Name1,9-dibromo-2,8-dimethoxydibenzofuran
SMILESCOc1ccc2oc3ccc(OC)c(Br)c3c2c1Br
InChIInChI=1S/C14H10Br2O3/c1-17-9-5-3-7-11(13(9)15)12-8(19-7)4-6-10(18-2)14(12)16/h3-6H,1-2H3
InChIKeyMNHOLBJNRVWNRV-UHFFFAOYSA-N
XLogP5.13
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.04
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-dibromo-2,8-dimethoxydibenzofuran?
The IUPAC name of 1,9-dibromo-2,8-dimethoxydibenzofuran (CID 4060876) is 1,9-dibromo-2,8-dimethoxydibenzofuran.
What is the SMILES notation for 1,9-dibromo-2,8-dimethoxydibenzofuran?
The canonical SMILES for 1,9-dibromo-2,8-dimethoxydibenzofuran is COc1ccc2oc3ccc(OC)c(Br)c3c2c1Br.
What is the InChIKey of 1,9-dibromo-2,8-dimethoxydibenzofuran?
The InChIKey is MNHOLBJNRVWNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O3/c1-17-9-5-3-7-11(13(9)15)12-8(19-7)4-6-10(18-2)14(12)16/h3-6H,1-2H3.
What are the key properties of 1,9-dibromo-2,8-dimethoxydibenzofuran?
1,9-dibromo-2,8-dimethoxydibenzofuran has a molecular weight of 386.04 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dibromo-2,8-dimethoxydibenzofuran is sourced from PubChem (CID 4060876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).