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

C11H15BrO3 — CID 117439695

IUPAC4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol
SMILESCOc1cc(O)c(C(C)(C)CO)cc1Br
InChIInChI=1S/C11H15BrO3/c1-11(2,6-13)7-4-8(12)10(15-3)5-9(7)14/h4-5,13-14H,6H2,1-3H3
InChIKeyQLGHNYKRIGDTDX-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.43
Rot. Bonds3

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

4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol (PubChem CID 117439695) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol
PubChem CID117439695
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol
SMILESCOc1cc(O)c(C(C)(C)CO)cc1Br
InChIInChI=1S/C11H15BrO3/c1-11(2,6-13)7-4-8(12)10(15-3)5-9(7)14/h4-5,13-14H,6H2,1-3H3
InChIKeyQLGHNYKRIGDTDX-UHFFFAOYSA-N
XLogP2.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzonitrile
CID 117315555
4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzoic acid
CID 117353068
2-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-5-methylphenol
CID 117400999
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
5-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethoxybenzoic acid
CID 117388809
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414
3-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-4-methylphenol
CID 117467037

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol?
The IUPAC name of 4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol (CID 117439695) is 4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol.
What is the SMILES notation for 4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol?
The canonical SMILES for 4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol is COc1cc(O)c(C(C)(C)CO)cc1Br.
What is the InChIKey of 4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol?
The InChIKey is QLGHNYKRIGDTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-11(2,6-13)7-4-8(12)10(15-3)5-9(7)14/h4-5,13-14H,6H2,1-3H3.
What are the key properties of 4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol?
4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol has a molecular weight of 275.14 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol is sourced from PubChem (CID 117439695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).