2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran

C15H13BrO — CID 82019050

IUPAC2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran
SMILESBrCC1Cc2cc(-c3ccccc3)ccc2O1
InChIInChI=1S/C15H13BrO/c16-10-14-9-13-8-12(6-7-15(13)17-14)11-4-2-1-3-5-11/h1-8,14H,9-10H2
InChIKeyADQRZPIYZSVNLU-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.05
Rot. Bonds2

About 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran

2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran (PubChem CID 82019050) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran
PubChem CID82019050
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran
SMILESBrCC1Cc2cc(-c3ccccc3)ccc2O1
InChIInChI=1S/C15H13BrO/c16-10-14-9-13-8-12(6-7-15(13)17-14)11-4-2-1-3-5-11/h1-8,14H,9-10H2
InChIKeyADQRZPIYZSVNLU-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran (CID 82019050) is 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran is BrCC1Cc2cc(-c3ccccc3)ccc2O1.
What is the InChIKey of 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran?
The InChIKey is ADQRZPIYZSVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO/c16-10-14-9-13-8-12(6-7-15(13)17-14)11-4-2-1-3-5-11/h1-8,14H,9-10H2.
What are the key properties of 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran?
2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran has a molecular weight of 289.17 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-phenyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 82019050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).