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

C11H15BrO2 — CID 117400999

IUPAC2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
SMILESCc1cc(O)c(Br)cc1C(C)(C)CO
InChIInChI=1S/C11H15BrO2/c1-7-4-10(14)9(12)5-8(7)11(2,3)6-13/h4-5,13-14H,6H2,1-3H3
InChIKeyUVMKFNHMWVUOCY-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.73
Rot. Bonds2

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

2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol (PubChem CID 117400999) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol.

Molecular Properties

Compound Name2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
PubChem CID117400999
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
SMILESCc1cc(O)c(Br)cc1C(C)(C)CO
InChIInChI=1S/C11H15BrO2/c1-7-4-10(14)9(12)5-8(7)11(2,3)6-13/h4-5,13-14H,6H2,1-3H3
InChIKeyUVMKFNHMWVUOCY-UHFFFAOYSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol
CID 117439695
2-bromo-4-fluoro-5-methylphenol
CID 84672831
4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 156787448
4-(2-amino-2-methylpropyl)-2-bromo-5-methylphenol
CID 117398550
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117406507
2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029
2-bromo-4-tert-butyl-5-iodophenol
CID 166610557
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
2-(5-bromo-3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117445061

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol?
The IUPAC name of 2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol (CID 117400999) is 2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol.
What is the SMILES notation for 2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol?
The canonical SMILES for 2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol is Cc1cc(O)c(Br)cc1C(C)(C)CO.
What is the InChIKey of 2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol?
The InChIKey is UVMKFNHMWVUOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-7-4-10(14)9(12)5-8(7)11(2,3)6-13/h4-5,13-14H,6H2,1-3H3.
What are the key properties of 2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol?
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol has a molecular weight of 259.14 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol is sourced from PubChem (CID 117400999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).