[diacetyloxy-(2-phenylphenyl)plumbyl] acetate

C18H18O6Pb — CID 16688012

IUPAC[diacetyloxy-(2-phenylphenyl)plumbyl] acetate
SMILESCC(=O)O[Pb](OC(C)=O)(OC(C)=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C12H9.3C2H4O2.Pb/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2(3)4;/h1-9H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyFIDRFGUXZFCDRL-UHFFFAOYSA-K
MW537.54 g/mol
LogP2.19
Rot. Bonds5

About [diacetyloxy-(2-phenylphenyl)plumbyl] acetate

[diacetyloxy-(2-phenylphenyl)plumbyl] acetate (PubChem CID 16688012) has the molecular formula C18H18O6Pb and a molecular weight of 537.54 g/mol. Its IUPAC name is [diacetyloxy-(2-phenylphenyl)plumbyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-(2-phenylphenyl)plumbyl] acetate
PubChem CID16688012
Molecular FormulaC18H18O6Pb
Molecular Weight537.54 g/mol
Exact Mass538.09
IUPAC Name[diacetyloxy-(2-phenylphenyl)plumbyl] acetate
SMILESCC(=O)O[Pb](OC(C)=O)(OC(C)=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C12H9.3C2H4O2.Pb/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2(3)4;/h1-9H;3*1H3,(H,3,4);/q;;;;+3/p-3
InChIKeyFIDRFGUXZFCDRL-UHFFFAOYSA-K
XLogP2.19
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.54
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-(2-phenylphenyl)plumbyl] acetate?
The IUPAC name of [diacetyloxy-(2-phenylphenyl)plumbyl] acetate (CID 16688012) is [diacetyloxy-(2-phenylphenyl)plumbyl] acetate.
What is the SMILES notation for [diacetyloxy-(2-phenylphenyl)plumbyl] acetate?
The canonical SMILES for [diacetyloxy-(2-phenylphenyl)plumbyl] acetate is CC(=O)O[Pb](OC(C)=O)(OC(C)=O)c1ccccc1-c1ccccc1.
What is the InChIKey of [diacetyloxy-(2-phenylphenyl)plumbyl] acetate?
The InChIKey is FIDRFGUXZFCDRL-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H9.3C2H4O2.Pb/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3*1-2(3)4;/h1-9H;3*1H3,(H,3,4);/q;;;;+3/p-3.
What are the key properties of [diacetyloxy-(2-phenylphenyl)plumbyl] acetate?
[diacetyloxy-(2-phenylphenyl)plumbyl] acetate has a molecular weight of 537.54 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-(2-phenylphenyl)plumbyl] acetate is sourced from PubChem (CID 16688012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).