[acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate

C19H21ClO4Pb — CID 59445909

IUPAC[acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate
SMILESCCc1ccc(-c2ccc(Cl)cc2)cc1[Pb](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H12Cl.2C2H4O2.CH3.Pb/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;2*1-2(3)4;;/h3,5-10H,2H2,1H3;2*1H3,(H,3,4);1H3;/q;;;;+2/p-2
InChIKeyBUWJCWMPPHBWGZ-UHFFFAOYSA-L
MW556.03 g/mol
LogP3.97
Rot. Bonds5

About [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate

[acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate (PubChem CID 59445909) has the molecular formula C19H21ClO4Pb and a molecular weight of 556.03 g/mol. Its IUPAC name is [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate.

Molecular Properties

Compound Name[acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate
PubChem CID59445909
Molecular FormulaC19H21ClO4Pb
Molecular Weight556.03 g/mol
Exact Mass556.09
IUPAC Name[acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate
SMILESCCc1ccc(-c2ccc(Cl)cc2)cc1[Pb](C)(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H12Cl.2C2H4O2.CH3.Pb/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;2*1-2(3)4;;/h3,5-10H,2H2,1H3;2*1H3,(H,3,4);1H3;/q;;;;+2/p-2
InChIKeyBUWJCWMPPHBWGZ-UHFFFAOYSA-L
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.03
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-(4-chlorophenyl)-2-ethylphenyl]-2-oxoacetate
CID 66691355
4-(4-chlorophenyl)-2-ethyl-1-methylbenzene
CID 22968913
methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
CID 12732375
4-(4-chlorophenyl)-1-ethyl-2-(methylsulfinylmethyl)benzene
CID 143050843
(4-chlorophenyl) acetate
CID 13410
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid
CID 7018688
1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
CID 83885913
[4-(4-chlorophenyl)phenyl] propaneperoxoate
CID 18544343
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate?
The IUPAC name of [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate (CID 59445909) is [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate.
What is the SMILES notation for [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate?
The canonical SMILES for [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate is CCc1ccc(-c2ccc(Cl)cc2)cc1[Pb](C)(OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate?
The InChIKey is BUWJCWMPPHBWGZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12Cl.2C2H4O2.CH3.Pb/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13;2*1-2(3)4;;/h3,5-10H,2H2,1H3;2*1H3,(H,3,4);1H3;/q;;;;+2/p-2.
What are the key properties of [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate?
[acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate has a molecular weight of 556.03 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[5-(4-chlorophenyl)-2-ethylphenyl]-methylplumbyl] acetate is sourced from PubChem (CID 59445909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).