6-bromo-6-iodocyclohexa-2,4-dien-1-ol

C6H6BrIO — CID 154174445

IUPAC6-bromo-6-iodocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1(Br)I
InChIInChI=1S/C6H6BrIO/c7-6(8)4-2-1-3-5(6)9/h1-5,9H
InChIKeyWFPZOYNWQHAKNG-UHFFFAOYSA-N
MW300.92 g/mol
LogP2.00
Rot. Bonds

About 6-bromo-6-iodocyclohexa-2,4-dien-1-ol

6-bromo-6-iodocyclohexa-2,4-dien-1-ol (PubChem CID 154174445) has the molecular formula C6H6BrIO and a molecular weight of 300.92 g/mol. Its IUPAC name is 6-bromo-6-iodocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-bromo-6-iodocyclohexa-2,4-dien-1-ol
PubChem CID154174445
Molecular FormulaC6H6BrIO
Molecular Weight300.92 g/mol
Exact Mass299.86
IUPAC Name6-bromo-6-iodocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1(Br)I
InChIInChI=1S/C6H6BrIO/c7-6(8)4-2-1-3-5(6)9/h1-5,9H
InChIKeyWFPZOYNWQHAKNG-UHFFFAOYSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.92
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-6-iodocyclohexa-2,4-dien-1-ol 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 6-bromo-6-iodocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-bromo-6-iodocyclohexa-2,4-dien-1-ol (CID 154174445) is 6-bromo-6-iodocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-bromo-6-iodocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-bromo-6-iodocyclohexa-2,4-dien-1-ol is OC1C=CC=CC1(Br)I.
What is the InChIKey of 6-bromo-6-iodocyclohexa-2,4-dien-1-ol?
The InChIKey is WFPZOYNWQHAKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrIO/c7-6(8)4-2-1-3-5(6)9/h1-5,9H.
What are the key properties of 6-bromo-6-iodocyclohexa-2,4-dien-1-ol?
6-bromo-6-iodocyclohexa-2,4-dien-1-ol has a molecular weight of 300.92 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-iodocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154174445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).