[3,5-dibromo-2-(bromomethyl)phenyl]methanol

C8H7Br3O — CID 22121392

IUPAC[3,5-dibromo-2-(bromomethyl)phenyl]methanol
SMILESOCc1cc(Br)cc(Br)c1CBr
InChIInChI=1S/C8H7Br3O/c9-3-7-5(4-12)1-6(10)2-8(7)11/h1-2,12H,3-4H2
InChIKeyDKAFKDOHRFFVPA-UHFFFAOYSA-N
MW358.86 g/mol
LogP3.60
Rot. Bonds2

About [3,5-dibromo-2-(bromomethyl)phenyl]methanol

[3,5-dibromo-2-(bromomethyl)phenyl]methanol (PubChem CID 22121392) has the molecular formula C8H7Br3O and a molecular weight of 358.86 g/mol. Its IUPAC name is [3,5-dibromo-2-(bromomethyl)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-2-(bromomethyl)phenyl]methanol
PubChem CID22121392
Molecular FormulaC8H7Br3O
Molecular Weight358.86 g/mol
Exact Mass355.80
IUPAC Name[3,5-dibromo-2-(bromomethyl)phenyl]methanol
SMILESOCc1cc(Br)cc(Br)c1CBr
InChIInChI=1S/C8H7Br3O/c9-3-7-5(4-12)1-6(10)2-8(7)11/h1-2,12H,3-4H2
InChIKeyDKAFKDOHRFFVPA-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [3,5-dibromo-2-(bromomethyl)phenyl]methanol?
The IUPAC name of [3,5-dibromo-2-(bromomethyl)phenyl]methanol (CID 22121392) is [3,5-dibromo-2-(bromomethyl)phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-2-(bromomethyl)phenyl]methanol?
The canonical SMILES for [3,5-dibromo-2-(bromomethyl)phenyl]methanol is OCc1cc(Br)cc(Br)c1CBr.
What is the InChIKey of [3,5-dibromo-2-(bromomethyl)phenyl]methanol?
The InChIKey is DKAFKDOHRFFVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br3O/c9-3-7-5(4-12)1-6(10)2-8(7)11/h1-2,12H,3-4H2.
What are the key properties of [3,5-dibromo-2-(bromomethyl)phenyl]methanol?
[3,5-dibromo-2-(bromomethyl)phenyl]methanol has a molecular weight of 358.86 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-2-(bromomethyl)phenyl]methanol is sourced from PubChem (CID 22121392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).