2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol

C6H5Br2IO — CID 86604246

IUPAC2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol
SMILESOC1=C(Br)CC(Br)(I)C=C1
InChIInChI=1S/C6H5Br2IO/c7-4-3-6(8,9)2-1-5(4)10/h1-2,10H,3H2
InChIKeyAKJDFXPNMNHTEL-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.64
Rot. Bonds

About 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol

2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol (PubChem CID 86604246) has the molecular formula C6H5Br2IO and a molecular weight of 379.82 g/mol. Its IUPAC name is 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol
PubChem CID86604246
Molecular FormulaC6H5Br2IO
Molecular Weight379.82 g/mol
Exact Mass377.78
IUPAC Name2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol
SMILESOC1=C(Br)CC(Br)(I)C=C1
InChIInChI=1S/C6H5Br2IO/c7-4-3-6(8,9)2-1-5(4)10/h1-2,10H,3H2
InChIKeyAKJDFXPNMNHTEL-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol?
The IUPAC name of 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol (CID 86604246) is 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol is OC1=C(Br)CC(Br)(I)C=C1.
What is the InChIKey of 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol?
The InChIKey is AKJDFXPNMNHTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2IO/c7-4-3-6(8,9)2-1-5(4)10/h1-2,10H,3H2.
What are the key properties of 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol?
2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol has a molecular weight of 379.82 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 86604246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).