3-fluoro-5-methoxy-4-methylphenol

C8H9FO2 — CID 84650327

IUPAC3-fluoro-5-methoxy-4-methylphenol
SMILESCOc1cc(O)cc(F)c1C
InChIInChI=1S/C8H9FO2/c1-5-7(9)3-6(10)4-8(5)11-2/h3-4,10H,1-2H3
InChIKeyYGFMZMDUXXYPMF-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.85
Rot. Bonds1

About 3-fluoro-5-methoxy-4-methylphenol

3-fluoro-5-methoxy-4-methylphenol (PubChem CID 84650327) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 3-fluoro-5-methoxy-4-methylphenol.

Molecular Properties

Compound Name3-fluoro-5-methoxy-4-methylphenol
PubChem CID84650327
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name3-fluoro-5-methoxy-4-methylphenol
SMILESCOc1cc(O)cc(F)c1C
InChIInChI=1S/C8H9FO2/c1-5-7(9)3-6(10)4-8(5)11-2/h3-4,10H,1-2H3
InChIKeyYGFMZMDUXXYPMF-UHFFFAOYSA-N
XLogP1.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methoxy-4-methylphenol?
The IUPAC name of 3-fluoro-5-methoxy-4-methylphenol (CID 84650327) is 3-fluoro-5-methoxy-4-methylphenol.
What is the SMILES notation for 3-fluoro-5-methoxy-4-methylphenol?
The canonical SMILES for 3-fluoro-5-methoxy-4-methylphenol is COc1cc(O)cc(F)c1C.
What is the InChIKey of 3-fluoro-5-methoxy-4-methylphenol?
The InChIKey is YGFMZMDUXXYPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-5-7(9)3-6(10)4-8(5)11-2/h3-4,10H,1-2H3.
What are the key properties of 3-fluoro-5-methoxy-4-methylphenol?
3-fluoro-5-methoxy-4-methylphenol has a molecular weight of 156.16 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methoxy-4-methylphenol is sourced from PubChem (CID 84650327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).