3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol

C10H13BrO3 — CID 84710429

IUPAC3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(CO)c1Br
InChIInChI=1S/C10H13BrO3/c1-3-6-4-8(14-2)10(13)7(5-12)9(6)11/h4,12-13H,3,5H2,1-2H3
InChIKeyQPCGVUPZKHXFHC-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.22
Rot. Bonds3

About 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol

3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol (PubChem CID 84710429) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol.

Molecular Properties

Compound Name3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
PubChem CID84710429
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(CO)c1Br
InChIInChI=1S/C10H13BrO3/c1-3-6-4-8(14-2)10(13)7(5-12)9(6)11/h4,12-13H,3,5H2,1-2H3
InChIKeyQPCGVUPZKHXFHC-UHFFFAOYSA-N
XLogP2.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 72942691
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
CID 84714045
3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
CID 117488219
2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
CID 117465351
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
CID 117483377
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol?
The IUPAC name of 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol (CID 84710429) is 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol.
What is the SMILES notation for 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol?
The canonical SMILES for 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol is CCc1cc(OC)c(O)c(CO)c1Br.
What is the InChIKey of 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol?
The InChIKey is QPCGVUPZKHXFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-3-6-4-8(14-2)10(13)7(5-12)9(6)11/h4,12-13H,3,5H2,1-2H3.
What are the key properties of 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol?
3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol has a molecular weight of 261.11 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol is sourced from PubChem (CID 84710429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).