3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran

C17H15BrO4 — CID 89479658

IUPAC3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
SMILESCOc1ccc2c(Br)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C17H15BrO4/c1-19-11-5-6-12-14(9-11)22-17(16(12)18)10-4-7-13(20-2)15(8-10)21-3/h4-9H,1-3H3
InChIKeyDXRYEJQPXLLXGF-UHFFFAOYSA-N
MW363.21 g/mol
LogP4.89
Rot. Bonds4

About 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran

3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran (PubChem CID 89479658) has the molecular formula C17H15BrO4 and a molecular weight of 363.21 g/mol. Its IUPAC name is 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran.

Molecular Properties

Compound Name3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
PubChem CID89479658
Molecular FormulaC17H15BrO4
Molecular Weight363.21 g/mol
Exact Mass362.02
IUPAC Name3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
SMILESCOc1ccc2c(Br)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C17H15BrO4/c1-19-11-5-6-12-14(9-11)22-17(16(12)18)10-4-7-13(20-2)15(8-10)21-3/h4-9H,1-3H3
InChIKeyDXRYEJQPXLLXGF-UHFFFAOYSA-N
XLogP4.89
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran?
The IUPAC name of 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran (CID 89479658) is 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran.
What is the SMILES notation for 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran?
The canonical SMILES for 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran is COc1ccc2c(Br)c(-c3ccc(OC)c(OC)c3)oc2c1.
What is the InChIKey of 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran?
The InChIKey is DXRYEJQPXLLXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO4/c1-19-11-5-6-12-14(9-11)22-17(16(12)18)10-4-7-13(20-2)15(8-10)21-3/h4-9H,1-3H3.
What are the key properties of 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran?
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran has a molecular weight of 363.21 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran is sourced from PubChem (CID 89479658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).