3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol

C13H19BrO3 — CID 117488219

IUPAC3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C(C)(C)CO)c1Br
InChIInChI=1S/C13H19BrO3/c1-5-8-6-9(17-4)12(16)10(11(8)14)13(2,3)7-15/h6,15-16H,5,7H2,1-4H3
InChIKeyGIAAURLHJMJNGO-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.00
Rot. Bonds4

About 3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol

3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol (PubChem CID 117488219) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
PubChem CID117488219
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C(C)(C)CO)c1Br
InChIInChI=1S/C13H19BrO3/c1-5-8-6-9(17-4)12(16)10(11(8)14)13(2,3)7-15/h6,15-16H,5,7H2,1-4H3
InChIKeyGIAAURLHJMJNGO-UHFFFAOYSA-N
XLogP3.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
CID 117465351
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
CID 84710429
2-bromo-3-ethyl-6-hydroxy-5-methoxybenzoic acid
CID 84714045
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
CID 117483377
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
3-ethyl-2-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 84677805
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029
2-ethyl-6-methoxy-4-methylphenol
CID 23597037

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol?
The IUPAC name of 3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol (CID 117488219) is 3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol.
What is the SMILES notation for 3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol?
The canonical SMILES for 3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol is CCc1cc(OC)c(O)c(C(C)(C)CO)c1Br.
What is the InChIKey of 3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol?
The InChIKey is GIAAURLHJMJNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-5-8-6-9(17-4)12(16)10(11(8)14)13(2,3)7-15/h6,15-16H,5,7H2,1-4H3.
What are the key properties of 3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol?
3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol has a molecular weight of 303.20 g/mol, XLogP of 3.00, 4 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-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol is sourced from PubChem (CID 117488219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).