4-fluoro-2-methylphenol;zirconium

C7H7FOZr — CID 174391374

IUPAC4-fluoro-2-methylphenol;zirconium
SMILESCc1cc(F)ccc1O.[Zr]
InChIInChI=1S/C7H7FO.Zr/c1-5-4-6(8)2-3-7(5)9;/h2-4,9H,1H3;
InChIKeyFOYYWHRJIUWYFM-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.84
Rot. Bonds

About 4-fluoro-2-methylphenol;zirconium

4-fluoro-2-methylphenol;zirconium (PubChem CID 174391374) has the molecular formula C7H7FOZr and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-fluoro-2-methylphenol;zirconium.

Molecular Properties

Compound Name4-fluoro-2-methylphenol;zirconium
PubChem CID174391374
Molecular FormulaC7H7FOZr
Molecular Weight217.35 g/mol
Exact Mass215.95
IUPAC Name4-fluoro-2-methylphenol;zirconium
SMILESCc1cc(F)ccc1O.[Zr]
InChIInChI=1S/C7H7FO.Zr/c1-5-4-6(8)2-3-7(5)9;/h2-4,9H,1H3;
InChIKeyFOYYWHRJIUWYFM-UHFFFAOYSA-N
XLogP1.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylphenol;zirconium?
The IUPAC name of 4-fluoro-2-methylphenol;zirconium (CID 174391374) is 4-fluoro-2-methylphenol;zirconium.
What is the SMILES notation for 4-fluoro-2-methylphenol;zirconium?
The canonical SMILES for 4-fluoro-2-methylphenol;zirconium is Cc1cc(F)ccc1O.[Zr].
What is the InChIKey of 4-fluoro-2-methylphenol;zirconium?
The InChIKey is FOYYWHRJIUWYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO.Zr/c1-5-4-6(8)2-3-7(5)9;/h2-4,9H,1H3;.
What are the key properties of 4-fluoro-2-methylphenol;zirconium?
4-fluoro-2-methylphenol;zirconium has a molecular weight of 217.35 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylphenol;zirconium is sourced from PubChem (CID 174391374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).