3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol

C12H17BrO3 — CID 117467029

IUPAC3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
SMILESCOc1c(O)cc(C)c(C(C)(C)CO)c1Br
InChIInChI=1S/C12H17BrO3/c1-7-5-8(15)11(16-4)10(13)9(7)12(2,3)6-14/h5,14-15H,6H2,1-4H3
InChIKeyCLZYLXMKDFJCKM-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.74
Rot. Bonds3

About 3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol

3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol (PubChem CID 117467029) has the molecular formula C12H17BrO3 and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol.

Molecular Properties

Compound Name3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
PubChem CID117467029
Molecular FormulaC12H17BrO3
Molecular Weight289.17 g/mol
Exact Mass288.04
IUPAC Name3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
SMILESCOc1c(O)cc(C)c(C(C)(C)CO)c1Br
InChIInChI=1S/C12H17BrO3/c1-7-5-8(15)11(16-4)10(13)9(7)12(2,3)6-14/h5,14-15H,6H2,1-4H3
InChIKeyCLZYLXMKDFJCKM-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

2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 117470259
5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
3-bromo-4-ethyl-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxyphenol
CID 117488219

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol?
The IUPAC name of 3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol (CID 117467029) is 3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol.
What is the SMILES notation for 3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol?
The canonical SMILES for 3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol is COc1c(O)cc(C)c(C(C)(C)CO)c1Br.
What is the InChIKey of 3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol?
The InChIKey is CLZYLXMKDFJCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO3/c1-7-5-8(15)11(16-4)10(13)9(7)12(2,3)6-14/h5,14-15H,6H2,1-4H3.
What are the key properties of 3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol?
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-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-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol is sourced from PubChem (CID 117467029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).