3-bromo-5-fluoro-2-methylphenol;ethane

C9H12BrFO — CID 156879236

IUPAC3-bromo-5-fluoro-2-methylphenol;ethane
SMILESCC.Cc1c(O)cc(F)cc1Br
InChIInChI=1S/C7H6BrFO.C2H6/c1-4-6(8)2-5(9)3-7(4)10;1-2/h2-3,10H,1H3;1-2H3
InChIKeyMIZCHXOZEDXOGU-UHFFFAOYSA-N
MW235.10 g/mol
LogP3.63
Rot. Bonds

About 3-bromo-5-fluoro-2-methylphenol;ethane

3-bromo-5-fluoro-2-methylphenol;ethane (PubChem CID 156879236) has the molecular formula C9H12BrFO and a molecular weight of 235.10 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-methylphenol;ethane.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-methylphenol;ethane
PubChem CID156879236
Molecular FormulaC9H12BrFO
Molecular Weight235.10 g/mol
Exact Mass234.01
IUPAC Name3-bromo-5-fluoro-2-methylphenol;ethane
SMILESCC.Cc1c(O)cc(F)cc1Br
InChIInChI=1S/C7H6BrFO.C2H6/c1-4-6(8)2-5(9)3-7(4)10;1-2/h2-3,10H,1H3;1-2H3
InChIKeyMIZCHXOZEDXOGU-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-methylphenol;ethane?
The IUPAC name of 3-bromo-5-fluoro-2-methylphenol;ethane (CID 156879236) is 3-bromo-5-fluoro-2-methylphenol;ethane.
What is the SMILES notation for 3-bromo-5-fluoro-2-methylphenol;ethane?
The canonical SMILES for 3-bromo-5-fluoro-2-methylphenol;ethane is CC.Cc1c(O)cc(F)cc1Br.
What is the InChIKey of 3-bromo-5-fluoro-2-methylphenol;ethane?
The InChIKey is MIZCHXOZEDXOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO.C2H6/c1-4-6(8)2-5(9)3-7(4)10;1-2/h2-3,10H,1H3;1-2H3.
What are the key properties of 3-bromo-5-fluoro-2-methylphenol;ethane?
3-bromo-5-fluoro-2-methylphenol;ethane has a molecular weight of 235.10 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-methylphenol;ethane is sourced from PubChem (CID 156879236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).