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

C11H14BrFO3 — CID 117472979

IUPAC6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
SMILESCOc1c(C(C)(C)CO)cc(Br)c(O)c1F
InChIInChI=1S/C11H14BrFO3/c1-11(2,5-14)6-4-7(12)9(15)8(13)10(6)16-3/h4,14-15H,5H2,1-3H3
InChIKeyKXFHDNCROSTPNG-UHFFFAOYSA-N
MW293.13 g/mol
LogP2.57
Rot. Bonds3

About 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol

6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol (PubChem CID 117472979) has the molecular formula C11H14BrFO3 and a molecular weight of 293.13 g/mol. Its IUPAC name is 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol.

Molecular Properties

Compound Name6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
PubChem CID117472979
Molecular FormulaC11H14BrFO3
Molecular Weight293.13 g/mol
Exact Mass292.01
IUPAC Name6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
SMILESCOc1c(C(C)(C)CO)cc(Br)c(O)c1F
InChIInChI=1S/C11H14BrFO3/c1-11(2,5-14)6-4-7(12)9(15)8(13)10(6)16-3/h4,14-15H,5H2,1-3H3
InChIKeyKXFHDNCROSTPNG-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

2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
5-bromo-3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117472984
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
4-bromo-2-(1-hydroxy-2-methylpropan-2-yl)-5-methoxyphenol
CID 117439695
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117362497
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
2-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117409979
2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
CID 117449379
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol?
The IUPAC name of 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol (CID 117472979) is 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol.
What is the SMILES notation for 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol?
The canonical SMILES for 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol is COc1c(C(C)(C)CO)cc(Br)c(O)c1F.
What is the InChIKey of 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol?
The InChIKey is KXFHDNCROSTPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO3/c1-11(2,5-14)6-4-7(12)9(15)8(13)10(6)16-3/h4,14-15H,5H2,1-3H3.
What are the key properties of 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol?
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-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 6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol is sourced from PubChem (CID 117472979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).