4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol

C10H10Br4O2 — CID 11306197

IUPAC4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol
SMILESCc1c(Br)c(O)c(CC(Br)CBr)c(O)c1Br
InChIInChI=1S/C10H10Br4O2/c1-4-7(13)9(15)6(2-5(12)3-11)10(16)8(4)14/h5,15-16H,2-3H2,1H3
InChIKeyGIHVOCFSZQIRTH-UHFFFAOYSA-N
MW481.80 g/mol
LogP4.63
Rot. Bonds3

About 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol

4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol (PubChem CID 11306197) has the molecular formula C10H10Br4O2 and a molecular weight of 481.80 g/mol. Its IUPAC name is 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol
PubChem CID11306197
Molecular FormulaC10H10Br4O2
Molecular Weight481.80 g/mol
Exact Mass477.74
IUPAC Name4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol
SMILESCc1c(Br)c(O)c(CC(Br)CBr)c(O)c1Br
InChIInChI=1S/C10H10Br4O2/c1-4-7(13)9(15)6(2-5(12)3-11)10(16)8(4)14/h5,15-16H,2-3H2,1H3
InChIKeyGIHVOCFSZQIRTH-UHFFFAOYSA-N
XLogP4.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.80
LogP ≤ 54.63
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 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol?
The IUPAC name of 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol (CID 11306197) is 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol.
What is the SMILES notation for 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol?
The canonical SMILES for 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol is Cc1c(Br)c(O)c(CC(Br)CBr)c(O)c1Br.
What is the InChIKey of 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol?
The InChIKey is GIHVOCFSZQIRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br4O2/c1-4-7(13)9(15)6(2-5(12)3-11)10(16)8(4)14/h5,15-16H,2-3H2,1H3.
What are the key properties of 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol?
4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol has a molecular weight of 481.80 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(2,3-dibromopropyl)-5-methylbenzene-1,3-diol is sourced from PubChem (CID 11306197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).