ethanol;phenylmethanol;zirconium

C11H20O3Zr — CID 150575485

IUPACethanol;phenylmethanol;zirconium
SMILESCCO.CCO.OCc1ccccc1.[Zr]
InChIInChI=1S/C7H8O.2C2H6O.Zr/c8-6-7-4-2-1-3-5-7;2*1-2-3;/h1-5,8H,6H2;2*3H,2H2,1H3;
InChIKeyWXJHTMDTXTXRKS-UHFFFAOYSA-N
MW291.50 g/mol
LogP1.17
Rot. Bonds1

About ethanol;phenylmethanol;zirconium

ethanol;phenylmethanol;zirconium (PubChem CID 150575485) has the molecular formula C11H20O3Zr and a molecular weight of 291.50 g/mol. Its IUPAC name is ethanol;phenylmethanol;zirconium.

Molecular Properties

Compound Nameethanol;phenylmethanol;zirconium
PubChem CID150575485
Molecular FormulaC11H20O3Zr
Molecular Weight291.50 g/mol
Exact Mass290.05
IUPAC Nameethanol;phenylmethanol;zirconium
SMILESCCO.CCO.OCc1ccccc1.[Zr]
InChIInChI=1S/C7H8O.2C2H6O.Zr/c8-6-7-4-2-1-3-5-7;2*1-2-3;/h1-5,8H,6H2;2*3H,2H2,1H3;
InChIKeyWXJHTMDTXTXRKS-UHFFFAOYSA-N
XLogP1.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanol;phenylmethanol;zirconium?
The IUPAC name of ethanol;phenylmethanol;zirconium (CID 150575485) is ethanol;phenylmethanol;zirconium.
What is the SMILES notation for ethanol;phenylmethanol;zirconium?
The canonical SMILES for ethanol;phenylmethanol;zirconium is CCO.CCO.OCc1ccccc1.[Zr].
What is the InChIKey of ethanol;phenylmethanol;zirconium?
The InChIKey is WXJHTMDTXTXRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.2C2H6O.Zr/c8-6-7-4-2-1-3-5-7;2*1-2-3;/h1-5,8H,6H2;2*3H,2H2,1H3;.
What are the key properties of ethanol;phenylmethanol;zirconium?
ethanol;phenylmethanol;zirconium has a molecular weight of 291.50 g/mol, XLogP of 1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;phenylmethanol;zirconium is sourced from PubChem (CID 150575485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).