2-bromo-5-fluoro-3-methylphenol

C7H6BrFO — CID 118995128

IUPAC2-bromo-5-fluoro-3-methylphenol
SMILESCc1cc(F)cc(O)c1Br
InChIInChI=1S/C7H6BrFO/c1-4-2-5(9)3-6(10)7(4)8/h2-3,10H,1H3
InChIKeyKXORHVIKYIUJJZ-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.60
Rot. Bonds

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

2-bromo-5-fluoro-3-methylphenol (PubChem CID 118995128) has the molecular formula C7H6BrFO and a molecular weight of 205.03 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-bromo-5-fluoro-3-methylphenol
PubChem CID118995128
Molecular FormulaC7H6BrFO
Molecular Weight205.03 g/mol
Exact Mass203.96
IUPAC Name2-bromo-5-fluoro-3-methylphenol
SMILESCc1cc(F)cc(O)c1Br
InChIInChI=1S/C7H6BrFO/c1-4-2-5(9)3-6(10)7(4)8/h2-3,10H,1H3
InChIKeyKXORHVIKYIUJJZ-UHFFFAOYSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-3-methylphenol?
The IUPAC name of 2-bromo-5-fluoro-3-methylphenol (CID 118995128) is 2-bromo-5-fluoro-3-methylphenol.
What is the SMILES notation for 2-bromo-5-fluoro-3-methylphenol?
The canonical SMILES for 2-bromo-5-fluoro-3-methylphenol is Cc1cc(F)cc(O)c1Br.
What is the InChIKey of 2-bromo-5-fluoro-3-methylphenol?
The InChIKey is KXORHVIKYIUJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO/c1-4-2-5(9)3-6(10)7(4)8/h2-3,10H,1H3.
What are the key properties of 2-bromo-5-fluoro-3-methylphenol?
2-bromo-5-fluoro-3-methylphenol has a molecular weight of 205.03 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-3-methylphenol is sourced from PubChem (CID 118995128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).