acetyloxy-[4-(diethylamino)phenyl]mercury

C12H17HgNO2 — CID 16683021

IUPACacetyloxy-[4-(diethylamino)phenyl]mercury
SMILESCCN(CC)c1ccc([Hg]OC(C)=O)cc1
InChIInChI=1S/C10H14N.C2H4O2.Hg/c1-3-11(4-2)10-8-6-5-7-9-10;1-2(3)4;/h6-9H,3-4H2,1-2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyCKZPFIZBRVCMCY-UHFFFAOYSA-M
MW407.86 g/mol
LogP1.72
Rot. Bonds5

About acetyloxy-[4-(diethylamino)phenyl]mercury

acetyloxy-[4-(diethylamino)phenyl]mercury (PubChem CID 16683021) has the molecular formula C12H17HgNO2 and a molecular weight of 407.86 g/mol. Its IUPAC name is acetyloxy-[4-(diethylamino)phenyl]mercury.

Molecular Properties

Compound Nameacetyloxy-[4-(diethylamino)phenyl]mercury
PubChem CID16683021
Molecular FormulaC12H17HgNO2
Molecular Weight407.86 g/mol
Exact Mass409.10
IUPAC Nameacetyloxy-[4-(diethylamino)phenyl]mercury
SMILESCCN(CC)c1ccc([Hg]OC(C)=O)cc1
InChIInChI=1S/C10H14N.C2H4O2.Hg/c1-3-11(4-2)10-8-6-5-7-9-10;1-2(3)4;/h6-9H,3-4H2,1-2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyCKZPFIZBRVCMCY-UHFFFAOYSA-M
XLogP1.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 51.72
H-Bond Donors ≤ 50
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 acetyloxy-[4-(diethylamino)phenyl]mercury?
The IUPAC name of acetyloxy-[4-(diethylamino)phenyl]mercury (CID 16683021) is acetyloxy-[4-(diethylamino)phenyl]mercury.
What is the SMILES notation for acetyloxy-[4-(diethylamino)phenyl]mercury?
The canonical SMILES for acetyloxy-[4-(diethylamino)phenyl]mercury is CCN(CC)c1ccc([Hg]OC(C)=O)cc1.
What is the InChIKey of acetyloxy-[4-(diethylamino)phenyl]mercury?
The InChIKey is CKZPFIZBRVCMCY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N.C2H4O2.Hg/c1-3-11(4-2)10-8-6-5-7-9-10;1-2(3)4;/h6-9H,3-4H2,1-2H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-[4-(diethylamino)phenyl]mercury?
acetyloxy-[4-(diethylamino)phenyl]mercury has a molecular weight of 407.86 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-[4-(diethylamino)phenyl]mercury is sourced from PubChem (CID 16683021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).