4-bromo-2-(trideuteriomethoxy)phenol

C7H7BrO2 — CID 10774644

IUPAC4-bromo-2-(trideuteriomethoxy)phenol
SMILES[2H]C([2H])([2H])Oc1cc(Br)ccc1O
InChIInChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3/i1D3
InChIKeyWHSIIJQOEGXWSN-FIBGUPNXSA-N
MW206.05 g/mol
LogP2.16
Rot. Bonds2

About 4-bromo-2-(trideuteriomethoxy)phenol

4-bromo-2-(trideuteriomethoxy)phenol (PubChem CID 10774644) has the molecular formula C7H7BrO2 and a molecular weight of 206.05 g/mol. Its IUPAC name is 4-bromo-2-(trideuteriomethoxy)phenol.

Molecular Properties

Compound Name4-bromo-2-(trideuteriomethoxy)phenol
PubChem CID10774644
Molecular FormulaC7H7BrO2
Molecular Weight206.05 g/mol
Exact Mass204.98
IUPAC Name4-bromo-2-(trideuteriomethoxy)phenol
SMILES[2H]C([2H])([2H])Oc1cc(Br)ccc1O
InChIInChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3/i1D3
InChIKeyWHSIIJQOEGXWSN-FIBGUPNXSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-phenyl-2-(trideuteriomethoxy)benzene
CID 171394460
2,4-dibromophenol;methanol
CID 174690931
1,2,6,7-tetradeuterio-5-hydroxy-1,7-bis[4-hydroxy-3-(trideuteriomethoxy)phenyl]hepta-1,4,6-trien-3-one
CID 173073323
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
methyl (2S)-2-amino-3-[4-hydroxy-3-(trideuteriomethoxy)phenyl]propanoate
CID 71750297
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
5-bromo-2-hydroperoxyphenol
CID 88803523
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
2,2,2-trideuterio-1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 170987993
4-(fluoromethyl)-2-methoxyphenol
CID 84650348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trideuteriomethoxy)phenol?
The IUPAC name of 4-bromo-2-(trideuteriomethoxy)phenol (CID 10774644) is 4-bromo-2-(trideuteriomethoxy)phenol.
What is the SMILES notation for 4-bromo-2-(trideuteriomethoxy)phenol?
The canonical SMILES for 4-bromo-2-(trideuteriomethoxy)phenol is [2H]C([2H])([2H])Oc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-(trideuteriomethoxy)phenol?
The InChIKey is WHSIIJQOEGXWSN-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H7BrO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3/i1D3.
What are the key properties of 4-bromo-2-(trideuteriomethoxy)phenol?
4-bromo-2-(trideuteriomethoxy)phenol has a molecular weight of 206.05 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trideuteriomethoxy)phenol is sourced from PubChem (CID 10774644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).