6-bromo-2-fluoro-3-propan-2-yloxyphenol

C9H10BrFO2 — CID 146035495

IUPAC6-bromo-2-fluoro-3-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(Br)c(O)c1F
InChIInChI=1S/C9H10BrFO2/c1-5(2)13-7-4-3-6(10)9(12)8(7)11/h3-5,12H,1-2H3
InChIKeyJRZABWUPROZZPJ-UHFFFAOYSA-N
MW249.08 g/mol
LogP3.08
Rot. Bonds2

About 6-bromo-2-fluoro-3-propan-2-yloxyphenol

6-bromo-2-fluoro-3-propan-2-yloxyphenol (PubChem CID 146035495) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-propan-2-yloxyphenol.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-propan-2-yloxyphenol
PubChem CID146035495
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name6-bromo-2-fluoro-3-propan-2-yloxyphenol
SMILESCC(C)Oc1ccc(Br)c(O)c1F
InChIInChI=1S/C9H10BrFO2/c1-5(2)13-7-4-3-6(10)9(12)8(7)11/h3-5,12H,1-2H3
InChIKeyJRZABWUPROZZPJ-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-propan-2-yloxyphenol?
The IUPAC name of 6-bromo-2-fluoro-3-propan-2-yloxyphenol (CID 146035495) is 6-bromo-2-fluoro-3-propan-2-yloxyphenol.
What is the SMILES notation for 6-bromo-2-fluoro-3-propan-2-yloxyphenol?
The canonical SMILES for 6-bromo-2-fluoro-3-propan-2-yloxyphenol is CC(C)Oc1ccc(Br)c(O)c1F.
What is the InChIKey of 6-bromo-2-fluoro-3-propan-2-yloxyphenol?
The InChIKey is JRZABWUPROZZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-5(2)13-7-4-3-6(10)9(12)8(7)11/h3-5,12H,1-2H3.
What are the key properties of 6-bromo-2-fluoro-3-propan-2-yloxyphenol?
6-bromo-2-fluoro-3-propan-2-yloxyphenol has a molecular weight of 249.08 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-3-propan-2-yloxyphenol is sourced from PubChem (CID 146035495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).