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

C11H15BrO2 — CID 117400993

IUPAC6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
SMILESCc1ccc(Br)c(O)c1C(C)(C)CO
InChIInChI=1S/C11H15BrO2/c1-7-4-5-8(12)10(14)9(7)11(2,3)6-13/h4-5,13-14H,6H2,1-3H3
InChIKeyKGFLMGNZUUYQBK-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.73
Rot. Bonds2

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

6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol (PubChem CID 117400993) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol.

Molecular Properties

Compound Name6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
PubChem CID117400993
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
SMILESCc1ccc(Br)c(O)c1C(C)(C)CO
InChIInChI=1S/C11H15BrO2/c1-7-4-5-8(12)10(14)9(7)11(2,3)6-13/h4-5,13-14H,6H2,1-3H3
InChIKeyKGFLMGNZUUYQBK-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

2-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylphenol
CID 117284763
6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol
CID 117287928
2-(4-bromo-3-methylphenyl)-2-methylpropan-1-ol
CID 117359057
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
6-bromo-2-(2-hydroxyethyl)-3-methylphenol
CID 117333496
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromo-6-methylphenol
CID 131586543
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
2-methyl-2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117318443
3-(2-hydroxy-3,6-dimethylphenyl)-3-methylbutanoic acid
CID 59163131
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
The IUPAC name of 6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol (CID 117400993) is 6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol.
What is the SMILES notation for 6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
The canonical SMILES for 6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol is Cc1ccc(Br)c(O)c1C(C)(C)CO.
What is the InChIKey of 6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
The InChIKey is KGFLMGNZUUYQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-7-4-5-8(12)10(14)9(7)11(2,3)6-13/h4-5,13-14H,6H2,1-3H3.
What are the key properties of 6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol?
6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-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 6-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-3-methylphenol is sourced from PubChem (CID 117400993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).