2-(2,3-dibromocyclopropyl)phenol

C9H8Br2O — CID 21403439

IUPAC2-(2,3-dibromocyclopropyl)phenol
SMILESOc1ccccc1C1C(Br)C1Br
InChIInChI=1S/C9H8Br2O/c10-8-7(9(8)11)5-3-1-2-4-6(5)12/h1-4,7-9,12H
InChIKeyACMICPUNCFTURZ-UHFFFAOYSA-N
MW291.97 g/mol
LogP3.02
Rot. Bonds1

About 2-(2,3-dibromocyclopropyl)phenol

2-(2,3-dibromocyclopropyl)phenol (PubChem CID 21403439) has the molecular formula C9H8Br2O and a molecular weight of 291.97 g/mol. Its IUPAC name is 2-(2,3-dibromocyclopropyl)phenol.

Molecular Properties

Compound Name2-(2,3-dibromocyclopropyl)phenol
PubChem CID21403439
Molecular FormulaC9H8Br2O
Molecular Weight291.97 g/mol
Exact Mass289.89
IUPAC Name2-(2,3-dibromocyclopropyl)phenol
SMILESOc1ccccc1C1C(Br)C1Br
InChIInChI=1S/C9H8Br2O/c10-8-7(9(8)11)5-3-1-2-4-6(5)12/h1-4,7-9,12H
InChIKeyACMICPUNCFTURZ-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,3-dibromocyclopropyl)phenol 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-(2,3-dibromocyclopropyl)phenol?
The IUPAC name of 2-(2,3-dibromocyclopropyl)phenol (CID 21403439) is 2-(2,3-dibromocyclopropyl)phenol.
What is the SMILES notation for 2-(2,3-dibromocyclopropyl)phenol?
The canonical SMILES for 2-(2,3-dibromocyclopropyl)phenol is Oc1ccccc1C1C(Br)C1Br.
What is the InChIKey of 2-(2,3-dibromocyclopropyl)phenol?
The InChIKey is ACMICPUNCFTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O/c10-8-7(9(8)11)5-3-1-2-4-6(5)12/h1-4,7-9,12H.
What are the key properties of 2-(2,3-dibromocyclopropyl)phenol?
2-(2,3-dibromocyclopropyl)phenol has a molecular weight of 291.97 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dibromocyclopropyl)phenol is sourced from PubChem (CID 21403439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).