oxolane;phenylmethanol;zinc

C18H24O3Zn — CID 174654594

IUPACoxolane;phenylmethanol;zinc
SMILESC1CCOC1.OCc1ccccc1.OCc1ccccc1.[Zn]
InChIInChI=1S/2C7H8O.C4H8O.Zn/c2*8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h2*1-5,8H,6H2;1-4H2;
InChIKeyCOCJQLLBLVMMLY-UHFFFAOYSA-N
MW353.78 g/mol
LogP3.15
Rot. Bonds2

About oxolane;phenylmethanol;zinc

oxolane;phenylmethanol;zinc (PubChem CID 174654594) has the molecular formula C18H24O3Zn and a molecular weight of 353.78 g/mol. Its IUPAC name is oxolane;phenylmethanol;zinc.

Molecular Properties

Compound Nameoxolane;phenylmethanol;zinc
PubChem CID174654594
Molecular FormulaC18H24O3Zn
Molecular Weight353.78 g/mol
Exact Mass352.10
IUPAC Nameoxolane;phenylmethanol;zinc
SMILESC1CCOC1.OCc1ccccc1.OCc1ccccc1.[Zn]
InChIInChI=1S/2C7H8O.C4H8O.Zn/c2*8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h2*1-5,8H,6H2;1-4H2;
InChIKeyCOCJQLLBLVMMLY-UHFFFAOYSA-N
XLogP3.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxolane;phenylmethanol;zinc?
The IUPAC name of oxolane;phenylmethanol;zinc (CID 174654594) is oxolane;phenylmethanol;zinc.
What is the SMILES notation for oxolane;phenylmethanol;zinc?
The canonical SMILES for oxolane;phenylmethanol;zinc is C1CCOC1.OCc1ccccc1.OCc1ccccc1.[Zn].
What is the InChIKey of oxolane;phenylmethanol;zinc?
The InChIKey is COCJQLLBLVMMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.C4H8O.Zn/c2*8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;/h2*1-5,8H,6H2;1-4H2;.
What are the key properties of oxolane;phenylmethanol;zinc?
oxolane;phenylmethanol;zinc has a molecular weight of 353.78 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;phenylmethanol;zinc is sourced from PubChem (CID 174654594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).