2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol

C13H19BrO2 — CID 117463241

IUPAC2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)c(Br)cc(C)c1C(C)(C)CO
InChIInChI=1S/C13H19BrO2/c1-8-6-10(14)9(2)12(16-5)11(8)13(3,4)7-15/h6,15H,7H2,1-5H3
InChIKeyHHFRMAPRWKZKOI-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.34
Rot. Bonds3

About 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol

2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol (PubChem CID 117463241) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
PubChem CID117463241
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
SMILESCOc1c(C)c(Br)cc(C)c1C(C)(C)CO
InChIInChI=1S/C13H19BrO2/c1-8-6-10(14)9(2)12(16-5)11(8)13(3,4)7-15/h6,15H,7H2,1-5H3
InChIKeyHHFRMAPRWKZKOI-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117400699
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 117470259
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
2-(4-bromo-2,3-dimethoxy-6-methylphenyl)propan-2-ol
CID 117466975
5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
CID 116962917
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
1-bromo-4-chloro-3-methoxy-2,5-dimethylbenzene
CID 84803778
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropan-1-ol
CID 117369297
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol (CID 117463241) is 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol is COc1c(C)c(Br)cc(C)c1C(C)(C)CO.
What is the InChIKey of 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol?
The InChIKey is HHFRMAPRWKZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-8-6-10(14)9(2)12(16-5)11(8)13(3,4)7-15/h6,15H,7H2,1-5H3.
What are the key properties of 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol?
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117463241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).