bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury

C10H10BrHgIO2 — CID 71355763

IUPACbromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury
SMILESCCOC(=O)C([Hg]Br)c1ccc(I)cc1
InChIInChI=1S/C10H10IO2.BrH.Hg/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;;/h3-7H,2H2,1H3;1H;/q;;+1/p-1
InChIKeyYHGMOCPDSMGKMQ-UHFFFAOYSA-M
MW569.59 g/mol
LogP3.29
Rot. Bonds4

About bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury

bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury (PubChem CID 71355763) has the molecular formula C10H10BrHgIO2 and a molecular weight of 569.59 g/mol. Its IUPAC name is bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury.

Molecular Properties

Compound Namebromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury
PubChem CID71355763
Molecular FormulaC10H10BrHgIO2
Molecular Weight569.59 g/mol
Exact Mass569.86
IUPAC Namebromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury
SMILESCCOC(=O)C([Hg]Br)c1ccc(I)cc1
InChIInChI=1S/C10H10IO2.BrH.Hg/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;;/h3-7H,2H2,1H3;1H;/q;;+1/p-1
InChIKeyYHGMOCPDSMGKMQ-UHFFFAOYSA-M
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.59
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromo-[1-(4-chlorophenyl)-2-ethoxy-2-oxoethyl]mercury
CID 71355765
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
ethyl 4-(4-iodophenyl)-2-methylpentanoate
CID 59863319
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
diethyl 2-(3-iodophenyl)propanedioate
CID 135193492
diethyl (2R,3R)-2-bromo-3-(4-methylphenyl)butanedioate
CID 7046713
ethyl 3-(benzylamino)-3-(4-iodophenyl)propanoate
CID 23067193
diethyl 2-[(4-iodophenyl)iminomethyl]propanedioate
CID 91495713
ethyl 10-(4-iodophenyl)undecanoate
CID 7458
ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
CID 43766193
ethyl 3-hydroxy-3-(4-iodophenyl)prop-2-enoate
CID 170922843
ethyl (2S)-2-(4-aminophenyl)-2-bromoacetate
CID 97296459

Frequently Asked Questions

What is the IUPAC name of bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury?
The IUPAC name of bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury (CID 71355763) is bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury.
What is the SMILES notation for bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury?
The canonical SMILES for bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury is CCOC(=O)C([Hg]Br)c1ccc(I)cc1.
What is the InChIKey of bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury?
The InChIKey is YHGMOCPDSMGKMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10IO2.BrH.Hg/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;;/h3-7H,2H2,1H3;1H;/q;;+1/p-1.
What are the key properties of bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury?
bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury has a molecular weight of 569.59 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[2-ethoxy-1-(4-iodophenyl)-2-oxoethyl]mercury is sourced from PubChem (CID 71355763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).