phenylmethanol;zirconium

C28H32O4Zr — CID 18688174

IUPACphenylmethanol;zirconium
SMILESOCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.[Zr]
InChIInChI=1S/4C7H8O.Zr/c4*8-6-7-4-2-1-3-5-7;/h4*1-5,8H,6H2;
InChIKeyJNLOHZRMAGCZQK-UHFFFAOYSA-N
MW523.78 g/mol
LogP4.71
Rot. Bonds4

About phenylmethanol;zirconium

phenylmethanol;zirconium (PubChem CID 18688174) has the molecular formula C28H32O4Zr and a molecular weight of 523.78 g/mol. Its IUPAC name is phenylmethanol;zirconium.

Molecular Properties

Compound Namephenylmethanol;zirconium
PubChem CID18688174
Molecular FormulaC28H32O4Zr
Molecular Weight523.78 g/mol
Exact Mass522.13
IUPAC Namephenylmethanol;zirconium
SMILESOCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.[Zr]
InChIInChI=1S/4C7H8O.Zr/c4*8-6-7-4-2-1-3-5-7;/h4*1-5,8H,6H2;
InChIKeyJNLOHZRMAGCZQK-UHFFFAOYSA-N
XLogP4.71
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.78
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenylmethanol;zirconium?
The IUPAC name of phenylmethanol;zirconium (CID 18688174) is phenylmethanol;zirconium.
What is the SMILES notation for phenylmethanol;zirconium?
The canonical SMILES for phenylmethanol;zirconium is OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.[Zr].
What is the InChIKey of phenylmethanol;zirconium?
The InChIKey is JNLOHZRMAGCZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H8O.Zr/c4*8-6-7-4-2-1-3-5-7;/h4*1-5,8H,6H2;.
What are the key properties of phenylmethanol;zirconium?
phenylmethanol;zirconium has a molecular weight of 523.78 g/mol, XLogP of 4.71, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanol;zirconium is sourced from PubChem (CID 18688174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).