1,5-dibromocyclohexa-3,5-diene-1,2-diol

C6H6Br2O2 — CID 135203387

IUPAC1,5-dibromocyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC(Br)=CC1(O)Br
InChIInChI=1S/C6H6Br2O2/c7-4-1-2-5(9)6(8,10)3-4/h1-3,5,9-10H
InChIKeyFNZRXUAUAJJWSS-UHFFFAOYSA-N
MW269.92 g/mol
LogP1.28
Rot. Bonds

About 1,5-dibromocyclohexa-3,5-diene-1,2-diol

1,5-dibromocyclohexa-3,5-diene-1,2-diol (PubChem CID 135203387) has the molecular formula C6H6Br2O2 and a molecular weight of 269.92 g/mol. Its IUPAC name is 1,5-dibromocyclohexa-3,5-diene-1,2-diol.

Molecular Properties

Compound Name1,5-dibromocyclohexa-3,5-diene-1,2-diol
PubChem CID135203387
Molecular FormulaC6H6Br2O2
Molecular Weight269.92 g/mol
Exact Mass267.87
IUPAC Name1,5-dibromocyclohexa-3,5-diene-1,2-diol
SMILESOC1C=CC(Br)=CC1(O)Br
InChIInChI=1S/C6H6Br2O2/c7-4-1-2-5(9)6(8,10)3-4/h1-3,5,9-10H
InChIKeyFNZRXUAUAJJWSS-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
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-1,2-diol?
The IUPAC name of 1,5-dibromocyclohexa-3,5-diene-1,2-diol (CID 135203387) is 1,5-dibromocyclohexa-3,5-diene-1,2-diol.
What is the SMILES notation for 1,5-dibromocyclohexa-3,5-diene-1,2-diol?
The canonical SMILES for 1,5-dibromocyclohexa-3,5-diene-1,2-diol is OC1C=CC(Br)=CC1(O)Br.
What is the InChIKey of 1,5-dibromocyclohexa-3,5-diene-1,2-diol?
The InChIKey is FNZRXUAUAJJWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2O2/c7-4-1-2-5(9)6(8,10)3-4/h1-3,5,9-10H.
What are the key properties of 1,5-dibromocyclohexa-3,5-diene-1,2-diol?
1,5-dibromocyclohexa-3,5-diene-1,2-diol has a molecular weight of 269.92 g/mol, XLogP of 1.28, 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-1,2-diol is sourced from PubChem (CID 135203387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).