7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran

C16H13BrO — CID 11066555

IUPAC7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran
SMILESC=CC1(c2ccccc2)COc2c(Br)cccc21
InChIInChI=1S/C16H13BrO/c1-2-16(12-7-4-3-5-8-12)11-18-15-13(16)9-6-10-14(15)17/h2-10H,1,11H2
InChIKeyQQQVTXCYCKPEJI-UHFFFAOYSA-N
MW301.18 g/mol
LogP4.31
Rot. Bonds2

About 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran

7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran (PubChem CID 11066555) has the molecular formula C16H13BrO and a molecular weight of 301.18 g/mol. Its IUPAC name is 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran.

Molecular Properties

Compound Name7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran
PubChem CID11066555
Molecular FormulaC16H13BrO
Molecular Weight301.18 g/mol
Exact Mass300.01
IUPAC Name7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran
SMILESC=CC1(c2ccccc2)COc2c(Br)cccc21
InChIInChI=1S/C16H13BrO/c1-2-16(12-7-4-3-5-8-12)11-18-15-13(16)9-6-10-14(15)17/h2-10H,1,11H2
InChIKeyQQQVTXCYCKPEJI-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran?
The IUPAC name of 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran (CID 11066555) is 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran.
What is the SMILES notation for 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran?
The canonical SMILES for 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran is C=CC1(c2ccccc2)COc2c(Br)cccc21.
What is the InChIKey of 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran?
The InChIKey is QQQVTXCYCKPEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO/c1-2-16(12-7-4-3-5-8-12)11-18-15-13(16)9-6-10-14(15)17/h2-10H,1,11H2.
What are the key properties of 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran?
7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran has a molecular weight of 301.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethenyl-3-phenyl-2H-1-benzofuran is sourced from PubChem (CID 11066555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).