4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene

C13H11BrO — CID 171394460

IUPAC4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C13H11BrO/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3/i1D3
InChIKeyZREIJSSRWLYNDK-FIBGUPNXSA-N
MW266.15 g/mol
LogP4.12
Rot. Bonds3

About 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene

4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene (PubChem CID 171394460) has the molecular formula C13H11BrO and a molecular weight of 266.15 g/mol. Its IUPAC name is 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene
PubChem CID171394460
Molecular FormulaC13H11BrO
Molecular Weight266.15 g/mol
Exact Mass265.02
IUPAC Name4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C13H11BrO/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3/i1D3
InChIKeyZREIJSSRWLYNDK-FIBGUPNXSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene?
The IUPAC name of 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene (CID 171394460) is 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene.
What is the SMILES notation for 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene?
The canonical SMILES for 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene is [2H]C([2H])([2H])Oc1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene?
The InChIKey is ZREIJSSRWLYNDK-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H11BrO/c1-15-13-9-11(14)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3/i1D3.
What are the key properties of 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene?
4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene has a molecular weight of 266.15 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene is sourced from PubChem (CID 171394460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).