zinc;2,6-diphenylphenolate;ethane

C20H18OZn — CID 160596418

IUPACzinc;2,6-diphenylphenolate;ethane
SMILES[CH2-]C.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[Zn+2]
InChIInChI=1S/C18H14O.C2H5.Zn/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2;/h1-13,19H;1H2,2H3;/q;-1;+2/p-1
InChIKeyAXDMQRUSHRLHSC-UHFFFAOYSA-M
MW339.75 g/mol
LogP4.93
Rot. Bonds2

About zinc;2,6-diphenylphenolate;ethane

zinc;2,6-diphenylphenolate;ethane (PubChem CID 160596418) has the molecular formula C20H18OZn and a molecular weight of 339.75 g/mol. Its IUPAC name is zinc;2,6-diphenylphenolate;ethane.

Molecular Properties

Compound Namezinc;2,6-diphenylphenolate;ethane
PubChem CID160596418
Molecular FormulaC20H18OZn
Molecular Weight339.75 g/mol
Exact Mass338.06
IUPAC Namezinc;2,6-diphenylphenolate;ethane
SMILES[CH2-]C.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[Zn+2]
InChIInChI=1S/C18H14O.C2H5.Zn/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2;/h1-13,19H;1H2,2H3;/q;-1;+2/p-1
InChIKeyAXDMQRUSHRLHSC-UHFFFAOYSA-M
XLogP4.93
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)
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methane;1-phenyl-2-(2-phenylphenyl)benzene
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N-methyl-2,6-diphenylaniline
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2-methoxy-1,3-diphenylbenzene
CID 23524590
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
CID 69011285
CID 69011285
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Frequently Asked Questions

What is the IUPAC name of zinc;2,6-diphenylphenolate;ethane?
The IUPAC name of zinc;2,6-diphenylphenolate;ethane (CID 160596418) is zinc;2,6-diphenylphenolate;ethane.
What is the SMILES notation for zinc;2,6-diphenylphenolate;ethane?
The canonical SMILES for zinc;2,6-diphenylphenolate;ethane is [CH2-]C.[O-]c1c(-c2ccccc2)cccc1-c1ccccc1.[Zn+2].
What is the InChIKey of zinc;2,6-diphenylphenolate;ethane?
The InChIKey is AXDMQRUSHRLHSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14O.C2H5.Zn/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-2;/h1-13,19H;1H2,2H3;/q;-1;+2/p-1.
What are the key properties of zinc;2,6-diphenylphenolate;ethane?
zinc;2,6-diphenylphenolate;ethane has a molecular weight of 339.75 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2,6-diphenylphenolate;ethane is sourced from PubChem (CID 160596418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).