1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran

C17H15BrO2 — CID 154712858

IUPAC1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(Br)c(/C=C/C2OCc3ccccc32)c1
InChIInChI=1S/C17H15BrO2/c1-19-14-7-8-16(18)12(10-14)6-9-17-15-5-3-2-4-13(15)11-20-17/h2-10,17H,11H2,1H3/b9-6+
InChIKeyVKAVFOPMJHIWFO-RMKNXTFCSA-N
MW331.21 g/mol
LogP4.74
Rot. Bonds3

About 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran

1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran (PubChem CID 154712858) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran
PubChem CID154712858
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(Br)c(/C=C/C2OCc3ccccc32)c1
InChIInChI=1S/C17H15BrO2/c1-19-14-7-8-16(18)12(10-14)6-9-17-15-5-3-2-4-13(15)11-20-17/h2-10,17H,11H2,1H3/b9-6+
InChIKeyVKAVFOPMJHIWFO-RMKNXTFCSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran (CID 154712858) is 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran is COc1ccc(Br)c(/C=C/C2OCc3ccccc32)c1.
What is the InChIKey of 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran?
The InChIKey is VKAVFOPMJHIWFO-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H15BrO2/c1-19-14-7-8-16(18)12(10-14)6-9-17-15-5-3-2-4-13(15)11-20-17/h2-10,17H,11H2,1H3/b9-6+.
What are the key properties of 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran?
1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran has a molecular weight of 331.21 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromo-5-methoxyphenyl)ethenyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 154712858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).