5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol

C11H14BrFO3 — CID 117472984

IUPAC5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
SMILESCOc1c(O)cc(Br)c(C(C)(C)CO)c1F
InChIInChI=1S/C11H14BrFO3/c1-11(2,5-14)8-6(12)4-7(15)10(16-3)9(8)13/h4,14-15H,5H2,1-3H3
InChIKeyCUDQIERNMYHWQA-UHFFFAOYSA-N
MW293.13 g/mol
LogP2.57
Rot. Bonds3

About 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol

5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol (PubChem CID 117472984) has the molecular formula C11H14BrFO3 and a molecular weight of 293.13 g/mol. Its IUPAC name is 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
PubChem CID117472984
Molecular FormulaC11H14BrFO3
Molecular Weight293.13 g/mol
Exact Mass292.01
IUPAC Name5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
SMILESCOc1c(O)cc(Br)c(C(C)(C)CO)c1F
InChIInChI=1S/C11H14BrFO3/c1-11(2,5-14)8-6(12)4-7(15)10(16-3)9(8)13/h4,14-15H,5H2,1-3H3
InChIKeyCUDQIERNMYHWQA-UHFFFAOYSA-N
XLogP2.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117445518
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
2-fluoro-3-(1-hydroxy-2-methylpropan-2-yl)-4,5-dimethoxyphenol
CID 117362414
3-bromo-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-5-methylphenol
CID 117467029
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
4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117378201
2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 117470259
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpropan-1-ol
CID 117463241
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol?
The IUPAC name of 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol (CID 117472984) is 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol.
What is the SMILES notation for 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol?
The canonical SMILES for 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol is COc1c(O)cc(Br)c(C(C)(C)CO)c1F.
What is the InChIKey of 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol?
The InChIKey is CUDQIERNMYHWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO3/c1-11(2,5-14)8-6(12)4-7(15)10(16-3)9(8)13/h4,14-15H,5H2,1-3H3.
What are the key properties of 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol?
5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol has a molecular weight of 293.13 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol is sourced from PubChem (CID 117472984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).