bis(1-(2-hydroxyphenyl)ethanone);zirconium

C16H16O4Zr — CID 87865139

IUPACbis(1-(2-hydroxyphenyl)ethanone);zirconium
SMILESCC(=O)c1ccccc1O.CC(=O)c1ccccc1O.[Zr]
InChIInChI=1S/2C8H8O2.Zr/c2*1-6(9)7-4-2-3-5-8(7)10;/h2*2-5,10H,1H3;
InChIKeyPRIQEKWDQRNNMK-UHFFFAOYSA-N
MW363.52 g/mol
LogP3.19
Rot. Bonds2

About bis(1-(2-hydroxyphenyl)ethanone);zirconium

bis(1-(2-hydroxyphenyl)ethanone);zirconium (PubChem CID 87865139) has the molecular formula C16H16O4Zr and a molecular weight of 363.52 g/mol. Its IUPAC name is bis(1-(2-hydroxyphenyl)ethanone);zirconium.

Molecular Properties

Compound Namebis(1-(2-hydroxyphenyl)ethanone);zirconium
PubChem CID87865139
Molecular FormulaC16H16O4Zr
Molecular Weight363.52 g/mol
Exact Mass362.01
IUPAC Namebis(1-(2-hydroxyphenyl)ethanone);zirconium
SMILESCC(=O)c1ccccc1O.CC(=O)c1ccccc1O.[Zr]
InChIInChI=1S/2C8H8O2.Zr/c2*1-6(9)7-4-2-3-5-8(7)10;/h2*2-5,10H,1H3;
InChIKeyPRIQEKWDQRNNMK-UHFFFAOYSA-N
XLogP3.19
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(1-(2-hydroxyphenyl)ethanone);zirconium?
The IUPAC name of bis(1-(2-hydroxyphenyl)ethanone);zirconium (CID 87865139) is bis(1-(2-hydroxyphenyl)ethanone);zirconium.
What is the SMILES notation for bis(1-(2-hydroxyphenyl)ethanone);zirconium?
The canonical SMILES for bis(1-(2-hydroxyphenyl)ethanone);zirconium is CC(=O)c1ccccc1O.CC(=O)c1ccccc1O.[Zr].
What is the InChIKey of bis(1-(2-hydroxyphenyl)ethanone);zirconium?
The InChIKey is PRIQEKWDQRNNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8O2.Zr/c2*1-6(9)7-4-2-3-5-8(7)10;/h2*2-5,10H,1H3;.
What are the key properties of bis(1-(2-hydroxyphenyl)ethanone);zirconium?
bis(1-(2-hydroxyphenyl)ethanone);zirconium has a molecular weight of 363.52 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-hydroxyphenyl)ethanone);zirconium is sourced from PubChem (CID 87865139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).