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

C15H11BrO2 — CID 13029177

IUPAC3-bromo-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2oc3ccccc3c2Br)cc1
InChIInChI=1S/C15H11BrO2/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeyMAXNNBGOXLWHPL-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.87
Rot. Bonds2

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

3-bromo-2-(4-methoxyphenyl)-1-benzofuran (PubChem CID 13029177) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-bromo-2-(4-methoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-bromo-2-(4-methoxyphenyl)-1-benzofuran
PubChem CID13029177
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name3-bromo-2-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2oc3ccccc3c2Br)cc1
InChIInChI=1S/C15H11BrO2/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeyMAXNNBGOXLWHPL-UHFFFAOYSA-N
XLogP4.87
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-Dibromodibenzofuran
CID 82290
2-Bromodibenzofuran
CID 6856
Eupomatenoid 6
CID 6261723
3-Bromodibenzofuran
CID 296861
4-Bromodibenzo[b,d]furan
CID 458256
2-Phenyl-benzofuran
CID 3517936
7-Bromo-2-(4-hydroxy-phenyl)-benzofuran-5-ol
CID 10286352
5-Methyl-2-phenyl-1-benzofuran
CID 1211950
2-(4-Bromophenyl)benzofuran
CID 15193131
(3,5-Dibromo-4-methoxyphenyl)(2-ethylbenzofuran-3-yl)methanone
CID 44421473
Corsifuran C
CID 11161125
(4-Bromophenyl)(4,6-dimethoxy-3-methyl-1-benzofuran-2-YL)methanone
CID 10022321

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-methoxyphenyl)-1-benzofuran?
The IUPAC name of 3-bromo-2-(4-methoxyphenyl)-1-benzofuran (CID 13029177) is 3-bromo-2-(4-methoxyphenyl)-1-benzofuran.
What is the SMILES notation for 3-bromo-2-(4-methoxyphenyl)-1-benzofuran?
The canonical SMILES for 3-bromo-2-(4-methoxyphenyl)-1-benzofuran is COc1ccc(-c2oc3ccccc3c2Br)cc1.
What is the InChIKey of 3-bromo-2-(4-methoxyphenyl)-1-benzofuran?
The InChIKey is MAXNNBGOXLWHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3.
What are the key properties of 3-bromo-2-(4-methoxyphenyl)-1-benzofuran?
3-bromo-2-(4-methoxyphenyl)-1-benzofuran has a molecular weight of 303.16 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-methoxyphenyl)-1-benzofuran is sourced from PubChem (CID 13029177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).