4-bromo-3,5-dimethoxyphenol

C8H9BrO3 — CID 14339099

IUPAC4-bromo-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1Br
InChIInChI=1S/C8H9BrO3/c1-11-6-3-5(10)4-7(12-2)8(6)9/h3-4,10H,1-2H3
InChIKeyDANCJFHGXPUGFD-UHFFFAOYSA-N
MW233.06 g/mol
LogP2.17
Rot. Bonds2

About 4-bromo-3,5-dimethoxyphenol

4-bromo-3,5-dimethoxyphenol (PubChem CID 14339099) has the molecular formula C8H9BrO3 and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxyphenol.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxyphenol
PubChem CID14339099
Molecular FormulaC8H9BrO3
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name4-bromo-3,5-dimethoxyphenol
SMILESCOc1cc(O)cc(OC)c1Br
InChIInChI=1S/C8H9BrO3/c1-11-6-3-5(10)4-7(12-2)8(6)9/h3-4,10H,1-2H3
InChIKeyDANCJFHGXPUGFD-UHFFFAOYSA-N
XLogP2.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxy-2,6-dimethoxyphenyl)sulfanyl-3,5-dimethoxyphenol
CID 14993626
1-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 58223484
2-bromo-4-methoxy-1,3-benzothiazol-6-ol
CID 135157042
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
2-(4-bromo-3,5-dimethoxyphenyl)propanenitrile
CID 84808824
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
4-bromo-3-methoxy-5-[(E)-pentadec-10-enyl]phenol
CID 10093030
4,9-dimethoxyphenazine-2,7-diol
CID 146380846
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
1-(4-bromo-3,5-dimethoxyphenyl)-N-methylmethanimine
CID 143939244
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxyphenol?
The IUPAC name of 4-bromo-3,5-dimethoxyphenol (CID 14339099) is 4-bromo-3,5-dimethoxyphenol.
What is the SMILES notation for 4-bromo-3,5-dimethoxyphenol?
The canonical SMILES for 4-bromo-3,5-dimethoxyphenol is COc1cc(O)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxyphenol?
The InChIKey is DANCJFHGXPUGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3/c1-11-6-3-5(10)4-7(12-2)8(6)9/h3-4,10H,1-2H3.
What are the key properties of 4-bromo-3,5-dimethoxyphenol?
4-bromo-3,5-dimethoxyphenol has a molecular weight of 233.06 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxyphenol is sourced from PubChem (CID 14339099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).