5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran

C17H15BrO4 — CID 46183064

IUPAC5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran
SMILESCOc1ccc(-c2cc3cc(Br)cc(OC)c3o2)cc1OC
InChIInChI=1S/C17H15BrO4/c1-19-13-5-4-10(7-15(13)20-2)14-8-11-6-12(18)9-16(21-3)17(11)22-14/h4-9H,1-3H3
InChIKeyUDAZVHNLUNWCFM-UHFFFAOYSA-N
MW363.21 g/mol
LogP4.89
Rot. Bonds4

About 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran

5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran (PubChem CID 46183064) has the molecular formula C17H15BrO4 and a molecular weight of 363.21 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran
PubChem CID46183064
Molecular FormulaC17H15BrO4
Molecular Weight363.21 g/mol
Exact Mass362.02
IUPAC Name5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran
SMILESCOc1ccc(-c2cc3cc(Br)cc(OC)c3o2)cc1OC
InChIInChI=1S/C17H15BrO4/c1-19-13-5-4-10(7-15(13)20-2)14-8-11-6-12(18)9-16(21-3)17(11)22-14/h4-9H,1-3H3
InChIKeyUDAZVHNLUNWCFM-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 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran?
The IUPAC name of 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran (CID 46183064) is 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran.
What is the SMILES notation for 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran?
The canonical SMILES for 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran is COc1ccc(-c2cc3cc(Br)cc(OC)c3o2)cc1OC.
What is the InChIKey of 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran?
The InChIKey is UDAZVHNLUNWCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO4/c1-19-13-5-4-10(7-15(13)20-2)14-8-11-6-12(18)9-16(21-3)17(11)22-14/h4-9H,1-3H3.
What are the key properties of 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran?
5-bromo-2-(3,4-dimethoxyphenyl)-7-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 5-bromo-2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran is sourced from PubChem (CID 46183064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).