ethyl-[(2-hydroxyphenyl)methyl]mercury

C9H12HgO — CID 175504373

IUPACethyl-[(2-hydroxyphenyl)methyl]mercury
SMILESCC[Hg]Cc1ccccc1O
InChIInChI=1S/C7H7O.C2H5.Hg/c1-6-4-2-3-5-7(6)8;1-2;/h2-5,8H,1H2;1H2,2H3;
InChIKeyDQYJCICNXANUFB-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.41
Rot. Bonds3

About ethyl-[(2-hydroxyphenyl)methyl]mercury

ethyl-[(2-hydroxyphenyl)methyl]mercury (PubChem CID 175504373) has the molecular formula C9H12HgO and a molecular weight of 336.78 g/mol. Its IUPAC name is ethyl-[(2-hydroxyphenyl)methyl]mercury.

Molecular Properties

Compound Nameethyl-[(2-hydroxyphenyl)methyl]mercury
PubChem CID175504373
Molecular FormulaC9H12HgO
Molecular Weight336.78 g/mol
Exact Mass338.06
IUPAC Nameethyl-[(2-hydroxyphenyl)methyl]mercury
SMILESCC[Hg]Cc1ccccc1O
InChIInChI=1S/C7H7O.C2H5.Hg/c1-6-4-2-3-5-7(6)8;1-2;/h2-5,8H,1H2;1H2,2H3;
InChIKeyDQYJCICNXANUFB-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 ethyl-[(2-hydroxyphenyl)methyl]mercury?
The IUPAC name of ethyl-[(2-hydroxyphenyl)methyl]mercury (CID 175504373) is ethyl-[(2-hydroxyphenyl)methyl]mercury.
What is the SMILES notation for ethyl-[(2-hydroxyphenyl)methyl]mercury?
The canonical SMILES for ethyl-[(2-hydroxyphenyl)methyl]mercury is CC[Hg]Cc1ccccc1O.
What is the InChIKey of ethyl-[(2-hydroxyphenyl)methyl]mercury?
The InChIKey is DQYJCICNXANUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.C2H5.Hg/c1-6-4-2-3-5-7(6)8;1-2;/h2-5,8H,1H2;1H2,2H3;.
What are the key properties of ethyl-[(2-hydroxyphenyl)methyl]mercury?
ethyl-[(2-hydroxyphenyl)methyl]mercury has a molecular weight of 336.78 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(2-hydroxyphenyl)methyl]mercury is sourced from PubChem (CID 175504373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).