2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol

C10H11Br3O2 — CID 22118042

IUPAC2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol
SMILESCOC(C)(CBr)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H11Br3O2/c1-10(5-11,15-2)6-3-7(12)9(14)8(13)4-6/h3-4,14H,5H2,1-2H3
InChIKeyPGYLXJQNRUHELX-UHFFFAOYSA-N
MW402.91 g/mol
LogP4.17
Rot. Bonds3

About 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol

2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol (PubChem CID 22118042) has the molecular formula C10H11Br3O2 and a molecular weight of 402.91 g/mol. Its IUPAC name is 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol.

Molecular Properties

Compound Name2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol
PubChem CID22118042
Molecular FormulaC10H11Br3O2
Molecular Weight402.91 g/mol
Exact Mass399.83
IUPAC Name2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol
SMILESCOC(C)(CBr)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H11Br3O2/c1-10(5-11,15-2)6-3-7(12)9(14)8(13)4-6/h3-4,14H,5H2,1-2H3
InChIKeyPGYLXJQNRUHELX-UHFFFAOYSA-N
XLogP4.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 54.17
H-Bond Donors ≤ 51
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 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol?
The IUPAC name of 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol (CID 22118042) is 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol.
What is the SMILES notation for 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol?
The canonical SMILES for 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol is COC(C)(CBr)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol?
The InChIKey is PGYLXJQNRUHELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br3O2/c1-10(5-11,15-2)6-3-7(12)9(14)8(13)4-6/h3-4,14H,5H2,1-2H3.
What are the key properties of 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol?
2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol has a molecular weight of 402.91 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol is sourced from PubChem (CID 22118042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).