3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol

C12H17BrO3 — CID 117467037

IUPAC3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(Br)c(C(C)(C)CO)c1O
InChIInChI=1S/C12H17BrO3/c1-7-5-8(16-4)11(15)9(10(7)13)12(2,3)6-14/h5,14-15H,6H2,1-4H3
InChIKeyPCABRWCOOZCCJT-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.74
Rot. Bonds3

About 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol

3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol (PubChem CID 117467037) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol.

Molecular Properties

Compound Name3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
PubChem CID117467037
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(Br)c(C(C)(C)CO)c1O
InChIInChI=1S/C12H17BrO3/c1-7-5-8(16-4)11(15)9(10(7)13)12(2,3)6-14/h5,14-15H,6H2,1-4H3
InChIKeyPCABRWCOOZCCJT-UHFFFAOYSA-N
XLogP2.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
CID 117488219
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 117470259
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
(3-bromo-6-methoxy-2,4-dimethylphenyl)methanol
CID 84802792
6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117400993
2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
CID 117441755

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol?
The IUPAC name of 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol (CID 117467037) is 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol.
What is the SMILES notation for 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol?
The canonical SMILES for 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol is COc1cc(C)c(Br)c(C(C)(C)CO)c1O.
What is the InChIKey of 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol?
The InChIKey is PCABRWCOOZCCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-7-5-8(16-4)11(15)9(10(7)13)12(2,3)6-14/h5,14-15H,6H2,1-4H3.
What are the key properties of 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol?
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol has a molecular weight of 289.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol is sourced from PubChem (CID 117467037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).