2-bromo-6-ethyl-3,4-dimethoxyphenol

C10H13BrO3 — CID 84710445

IUPAC2-bromo-6-ethyl-3,4-dimethoxyphenol
SMILESCCc1cc(OC)c(OC)c(Br)c1O
InChIInChI=1S/C10H13BrO3/c1-4-6-5-7(13-2)10(14-3)8(11)9(6)12/h5,12H,4H2,1-3H3
InChIKeyRMCDQTVBHZLQNF-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.73
Rot. Bonds3

About 2-bromo-6-ethyl-3,4-dimethoxyphenol

2-bromo-6-ethyl-3,4-dimethoxyphenol (PubChem CID 84710445) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is 2-bromo-6-ethyl-3,4-dimethoxyphenol.

Molecular Properties

Compound Name2-bromo-6-ethyl-3,4-dimethoxyphenol
PubChem CID84710445
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name2-bromo-6-ethyl-3,4-dimethoxyphenol
SMILESCCc1cc(OC)c(OC)c(Br)c1O
InChIInChI=1S/C10H13BrO3/c1-4-6-5-7(13-2)10(14-3)8(11)9(6)12/h5,12H,4H2,1-3H3
InChIKeyRMCDQTVBHZLQNF-UHFFFAOYSA-N
XLogP2.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
CID 84710429
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117468655
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
CID 84714045
1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117488916
3-bromo-2-hydroxy-4,5-dimethoxybenzonitrile
CID 117398262
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
3-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)butanal
CID 117487905
2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
CID 117465351
3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
CID 117488219

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethyl-3,4-dimethoxyphenol?
The IUPAC name of 2-bromo-6-ethyl-3,4-dimethoxyphenol (CID 84710445) is 2-bromo-6-ethyl-3,4-dimethoxyphenol.
What is the SMILES notation for 2-bromo-6-ethyl-3,4-dimethoxyphenol?
The canonical SMILES for 2-bromo-6-ethyl-3,4-dimethoxyphenol is CCc1cc(OC)c(OC)c(Br)c1O.
What is the InChIKey of 2-bromo-6-ethyl-3,4-dimethoxyphenol?
The InChIKey is RMCDQTVBHZLQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-4-6-5-7(13-2)10(14-3)8(11)9(6)12/h5,12H,4H2,1-3H3.
What are the key properties of 2-bromo-6-ethyl-3,4-dimethoxyphenol?
2-bromo-6-ethyl-3,4-dimethoxyphenol has a molecular weight of 261.11 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethyl-3,4-dimethoxyphenol is sourced from PubChem (CID 84710445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).