1,5-dibromocyclohexa-3,5-diene-1,3-diol

C6H6Br2O2 — CID 67094180

IUPAC1,5-dibromocyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC(Br)=CC(O)(Br)C1
InChIInChI=1S/C6H6Br2O2/c7-4-1-5(9)3-6(8,10)2-4/h1-2,9-10H,3H2
InChIKeyUAXGNTUHJOZUQJ-UHFFFAOYSA-N
MW269.92 g/mol
LogP2.19
Rot. Bonds

About 1,5-dibromocyclohexa-3,5-diene-1,3-diol

1,5-dibromocyclohexa-3,5-diene-1,3-diol (PubChem CID 67094180) has the molecular formula C6H6Br2O2 and a molecular weight of 269.92 g/mol. Its IUPAC name is 1,5-dibromocyclohexa-3,5-diene-1,3-diol.

Molecular Properties

Compound Name1,5-dibromocyclohexa-3,5-diene-1,3-diol
PubChem CID67094180
Molecular FormulaC6H6Br2O2
Molecular Weight269.92 g/mol
Exact Mass267.87
IUPAC Name1,5-dibromocyclohexa-3,5-diene-1,3-diol
SMILESOC1=CC(Br)=CC(O)(Br)C1
InChIInChI=1S/C6H6Br2O2/c7-4-1-5(9)3-6(8,10)2-4/h1-2,9-10H,3H2
InChIKeyUAXGNTUHJOZUQJ-UHFFFAOYSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.92
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,5-dibromocyclohexa-3,5-diene-1,3-diol?
The IUPAC name of 1,5-dibromocyclohexa-3,5-diene-1,3-diol (CID 67094180) is 1,5-dibromocyclohexa-3,5-diene-1,3-diol.
What is the SMILES notation for 1,5-dibromocyclohexa-3,5-diene-1,3-diol?
The canonical SMILES for 1,5-dibromocyclohexa-3,5-diene-1,3-diol is OC1=CC(Br)=CC(O)(Br)C1.
What is the InChIKey of 1,5-dibromocyclohexa-3,5-diene-1,3-diol?
The InChIKey is UAXGNTUHJOZUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2O2/c7-4-1-5(9)3-6(8,10)2-4/h1-2,9-10H,3H2.
What are the key properties of 1,5-dibromocyclohexa-3,5-diene-1,3-diol?
1,5-dibromocyclohexa-3,5-diene-1,3-diol has a molecular weight of 269.92 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromocyclohexa-3,5-diene-1,3-diol is sourced from PubChem (CID 67094180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).