3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran

C16H13BrO3 — CID 89479970

IUPAC3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2oc3ccc(OC)cc3c2Br)cc1
InChIInChI=1S/C16H13BrO3/c1-18-11-5-3-10(4-6-11)16-15(17)13-9-12(19-2)7-8-14(13)20-16/h3-9H,1-2H3
InChIKeyJENSIBCYTSRFLG-UHFFFAOYSA-N
MW333.18 g/mol
LogP4.88
Rot. Bonds3

About 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran

3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran (PubChem CID 89479970) has the molecular formula C16H13BrO3 and a molecular weight of 333.18 g/mol. Its IUPAC name is 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
PubChem CID89479970
Molecular FormulaC16H13BrO3
Molecular Weight333.18 g/mol
Exact Mass332.00
IUPAC Name3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2oc3ccc(OC)cc3c2Br)cc1
InChIInChI=1S/C16H13BrO3/c1-18-11-5-3-10(4-6-11)16-15(17)13-9-12(19-2)7-8-14(13)20-16/h3-9H,1-2H3
InChIKeyJENSIBCYTSRFLG-UHFFFAOYSA-N
XLogP4.88
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methoxy-2-(4-propan-2-ylphenyl)-1-benzofuran
CID 155702191
3-bromo-6-methoxy-2-(4-methylsulfanylphenyl)chromen-4-one
CID 11132577
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
CID 89479658
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
CID 10316448
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 50943995
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-1-benzofuran
CID 141261100
lithium;bis[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran;butane;3-[3,3,4,4,5,5-hexafluoro-2-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-yl]cyclopenten-1-yl]-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran;methane;1,2,3,3,4,4,5,5-octafluorocyclopentene
CID 160773650
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
2-(4-methoxyphenyl)-1-benzofuran-3-amine
CID 102535586

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran?
The IUPAC name of 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran (CID 89479970) is 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran.
What is the SMILES notation for 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran?
The canonical SMILES for 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran is COc1ccc(-c2oc3ccc(OC)cc3c2Br)cc1.
What is the InChIKey of 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran?
The InChIKey is JENSIBCYTSRFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO3/c1-18-11-5-3-10(4-6-11)16-15(17)13-9-12(19-2)7-8-14(13)20-16/h3-9H,1-2H3.
What are the key properties of 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran?
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran has a molecular weight of 333.18 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran is sourced from PubChem (CID 89479970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).