1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran

C16H13BrO — CID 154712856

IUPAC1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran
SMILESBrc1ccccc1/C=C/C1OCc2ccccc21
InChIInChI=1S/C16H13BrO/c17-15-8-4-2-5-12(15)9-10-16-14-7-3-1-6-13(14)11-18-16/h1-10,16H,11H2/b10-9+
InChIKeyXTHLQTQQLJNZDV-MDZDMXLPSA-N
MW301.18 g/mol
LogP4.73
Rot. Bonds2

About 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran

1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran (PubChem CID 154712856) has the molecular formula C16H13BrO and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran
PubChem CID154712856
Molecular FormulaC16H13BrO
Molecular Weight301.18 g/mol
Exact Mass300.01
IUPAC Name1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran
SMILESBrc1ccccc1/C=C/C1OCc2ccccc21
InChIInChI=1S/C16H13BrO/c17-15-8-4-2-5-12(15)9-10-16-14-7-3-1-6-13(14)11-18-16/h1-10,16H,11H2/b10-9+
InChIKeyXTHLQTQQLJNZDV-MDZDMXLPSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran (CID 154712856) is 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran is Brc1ccccc1/C=C/C1OCc2ccccc21.
What is the InChIKey of 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran?
The InChIKey is XTHLQTQQLJNZDV-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H13BrO/c17-15-8-4-2-5-12(15)9-10-16-14-7-3-1-6-13(14)11-18-16/h1-10,16H,11H2/b10-9+.
What are the key properties of 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran?
1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran has a molecular weight of 301.18 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromophenyl)ethenyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 154712856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).