4-bromo-2,6-bis(trideuteriomethyl)phenol

C8H9BrO — CID 53496780

IUPAC4-bromo-2,6-bis(trideuteriomethyl)phenol
SMILES[2H]C([2H])([2H])c1cc(Br)cc(C([2H])([2H])[2H])c1O
InChIInChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3/i1D3,2D3
InChIKeyZLVFYUORUHNMBO-WFGJKAKNSA-N
MW207.10 g/mol
LogP2.77
Rot. Bonds2

About 4-bromo-2,6-bis(trideuteriomethyl)phenol

4-bromo-2,6-bis(trideuteriomethyl)phenol (PubChem CID 53496780) has the molecular formula C8H9BrO and a molecular weight of 207.10 g/mol. Its IUPAC name is 4-bromo-2,6-bis(trideuteriomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2,6-bis(trideuteriomethyl)phenol
PubChem CID53496780
Molecular FormulaC8H9BrO
Molecular Weight207.10 g/mol
Exact Mass206.02
IUPAC Name4-bromo-2,6-bis(trideuteriomethyl)phenol
SMILES[2H]C([2H])([2H])c1cc(Br)cc(C([2H])([2H])[2H])c1O
InChIInChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3/i1D3,2D3
InChIKeyZLVFYUORUHNMBO-WFGJKAKNSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-bis(trideuteriomethyl)phenol?
The IUPAC name of 4-bromo-2,6-bis(trideuteriomethyl)phenol (CID 53496780) is 4-bromo-2,6-bis(trideuteriomethyl)phenol.
What is the SMILES notation for 4-bromo-2,6-bis(trideuteriomethyl)phenol?
The canonical SMILES for 4-bromo-2,6-bis(trideuteriomethyl)phenol is [2H]C([2H])([2H])c1cc(Br)cc(C([2H])([2H])[2H])c1O.
What is the InChIKey of 4-bromo-2,6-bis(trideuteriomethyl)phenol?
The InChIKey is ZLVFYUORUHNMBO-WFGJKAKNSA-N. The full InChI is InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3/i1D3,2D3.
What are the key properties of 4-bromo-2,6-bis(trideuteriomethyl)phenol?
4-bromo-2,6-bis(trideuteriomethyl)phenol has a molecular weight of 207.10 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-bis(trideuteriomethyl)phenol is sourced from PubChem (CID 53496780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).