5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran

C15H10Br2O2 — CID 10309404

IUPAC5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2cc3cc(Br)cc(Br)c3o2)cc1
InChIInChI=1S/C15H10Br2O2/c1-18-12-4-2-9(3-5-12)14-7-10-6-11(16)8-13(17)15(10)19-14/h2-8H,1H3
InChIKeyYSVTVCHWZRBJQS-UHFFFAOYSA-N
MW382.05 g/mol
LogP5.63
Rot. Bonds2

About 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran

5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran (PubChem CID 10309404) has the molecular formula C15H10Br2O2 and a molecular weight of 382.05 g/mol. Its IUPAC name is 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran
PubChem CID10309404
Molecular FormulaC15H10Br2O2
Molecular Weight382.05 g/mol
Exact Mass379.90
IUPAC Name5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2cc3cc(Br)cc(Br)c3o2)cc1
InChIInChI=1S/C15H10Br2O2/c1-18-12-4-2-9(3-5-12)14-7-10-6-11(16)8-13(17)15(10)19-14/h2-8H,1H3
InChIKeyYSVTVCHWZRBJQS-UHFFFAOYSA-N
XLogP5.63
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.05
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dibromo-3-(4-methoxyphenyl)chromen-2-one
CID 86702313
[4-[7-bromo-5-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-yl]phenoxy]-tert-butyl-dimethylsilane
CID 22221616
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 134151377
1-[5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-7-yl]ethanone
CID 22221637
5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 10214897
ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 142256355
CID 71043704
CID 71043704
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
[3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone
CID 100977174
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran?
The IUPAC name of 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran (CID 10309404) is 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran.
What is the SMILES notation for 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran?
The canonical SMILES for 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran is COc1ccc(-c2cc3cc(Br)cc(Br)c3o2)cc1.
What is the InChIKey of 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran?
The InChIKey is YSVTVCHWZRBJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2O2/c1-18-12-4-2-9(3-5-12)14-7-10-6-11(16)8-13(17)15(10)19-14/h2-8H,1H3.
What are the key properties of 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran?
5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran has a molecular weight of 382.05 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran is sourced from PubChem (CID 10309404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).