2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran

C11H11BrO — CID 152517022

IUPAC2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran
SMILESBrC1Cc2cc3c(cc2O1)CCC3
InChIInChI=1S/C11H11BrO/c12-11-6-9-4-7-2-1-3-8(7)5-10(9)13-11/h4-5,11H,1-3,6H2
InChIKeyYGSSAMITIIWJBM-UHFFFAOYSA-N
MW239.11 g/mol
LogP2.83
Rot. Bonds

About 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran

2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran (PubChem CID 152517022) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran.

Molecular Properties

Compound Name2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran
PubChem CID152517022
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran
SMILESBrC1Cc2cc3c(cc2O1)CCC3
InChIInChI=1S/C11H11BrO/c12-11-6-9-4-7-2-1-3-8(7)5-10(9)13-11/h4-5,11H,1-3,6H2
InChIKeyYGSSAMITIIWJBM-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran?
The IUPAC name of 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran (CID 152517022) is 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran.
What is the SMILES notation for 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran?
The canonical SMILES for 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran is BrC1Cc2cc3c(cc2O1)CCC3.
What is the InChIKey of 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran?
The InChIKey is YGSSAMITIIWJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO/c12-11-6-9-4-7-2-1-3-8(7)5-10(9)13-11/h4-5,11H,1-3,6H2.
What are the key properties of 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran?
2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran has a molecular weight of 239.11 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran is sourced from PubChem (CID 152517022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).