chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury

C16H15ClHgO2 — CID 10600620

IUPACchloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury
SMILESCOc1ccc(/C(=C/[Hg]Cl)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H15O2.ClH.Hg/c1-12(13-7-5-4-6-8-13)15-10-9-14(17-2)11-16(15)18-3;;/h1,4-11H,2-3H3;1H;/q;;+1/p-1
InChIKeyNHKNUUSEUNIQCS-UHFFFAOYSA-M
MW475.34 g/mol
LogP4.33
Rot. Bonds5

About chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury

chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury (PubChem CID 10600620) has the molecular formula C16H15ClHgO2 and a molecular weight of 475.34 g/mol. Its IUPAC name is chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury.

Molecular Properties

Compound Namechloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury
PubChem CID10600620
Molecular FormulaC16H15ClHgO2
Molecular Weight475.34 g/mol
Exact Mass476.05
IUPAC Namechloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury
SMILESCOc1ccc(/C(=C/[Hg]Cl)c2ccccc2)c(OC)c1
InChIInChI=1S/C16H15O2.ClH.Hg/c1-12(13-7-5-4-6-8-13)15-10-9-14(17-2)11-16(15)18-3;;/h1,4-11H,2-3H3;1H;/q;;+1/p-1
InChIKeyNHKNUUSEUNIQCS-UHFFFAOYSA-M
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury?
The IUPAC name of chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury (CID 10600620) is chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury.
What is the SMILES notation for chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury?
The canonical SMILES for chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury is COc1ccc(/C(=C/[Hg]Cl)c2ccccc2)c(OC)c1.
What is the InChIKey of chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury?
The InChIKey is NHKNUUSEUNIQCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15O2.ClH.Hg/c1-12(13-7-5-4-6-8-13)15-10-9-14(17-2)11-16(15)18-3;;/h1,4-11H,2-3H3;1H;/q;;+1/p-1.
What are the key properties of chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury?
chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury has a molecular weight of 475.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(E)-2-(2,4-dimethoxyphenyl)-2-phenylethenyl]mercury is sourced from PubChem (CID 10600620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).