2-bromo-6-methoxy-3-phenyl-1-benzofuran

C15H11BrO2 — CID 21436790

IUPAC2-bromo-6-methoxy-3-phenyl-1-benzofuran
SMILESCOc1ccc2c(-c3ccccc3)c(Br)oc2c1
InChIInChI=1S/C15H11BrO2/c1-17-11-7-8-12-13(9-11)18-15(16)14(12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyBSSRQGXEJVZXAX-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.87
Rot. Bonds2

About 2-bromo-6-methoxy-3-phenyl-1-benzofuran

2-bromo-6-methoxy-3-phenyl-1-benzofuran (PubChem CID 21436790) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-bromo-6-methoxy-3-phenyl-1-benzofuran.

Molecular Properties

Compound Name2-bromo-6-methoxy-3-phenyl-1-benzofuran
PubChem CID21436790
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name2-bromo-6-methoxy-3-phenyl-1-benzofuran
SMILESCOc1ccc2c(-c3ccccc3)c(Br)oc2c1
InChIInChI=1S/C15H11BrO2/c1-17-11-7-8-12-13(9-11)18-15(16)14(12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyBSSRQGXEJVZXAX-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-3-phenyl-1-benzofuran?
The IUPAC name of 2-bromo-6-methoxy-3-phenyl-1-benzofuran (CID 21436790) is 2-bromo-6-methoxy-3-phenyl-1-benzofuran.
What is the SMILES notation for 2-bromo-6-methoxy-3-phenyl-1-benzofuran?
The canonical SMILES for 2-bromo-6-methoxy-3-phenyl-1-benzofuran is COc1ccc2c(-c3ccccc3)c(Br)oc2c1.
What is the InChIKey of 2-bromo-6-methoxy-3-phenyl-1-benzofuran?
The InChIKey is BSSRQGXEJVZXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c1-17-11-7-8-12-13(9-11)18-15(16)14(12)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 2-bromo-6-methoxy-3-phenyl-1-benzofuran?
2-bromo-6-methoxy-3-phenyl-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 2-bromo-6-methoxy-3-phenyl-1-benzofuran is sourced from PubChem (CID 21436790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).