2-phenoxyethylmercury

C8H9HgO — CID 163598363

IUPAC2-phenoxyethylmercury
SMILES[Hg]CCOc1ccccc1
InChIInChI=1S/C8H9O.Hg/c1-2-9-8-6-4-3-5-7-8;/h3-7H,1-2H2;
InChIKeyGVLBUYYDZLVJKK-UHFFFAOYSA-N
MW321.75 g/mol
LogP2.03
Rot. Bonds3

About 2-phenoxyethylmercury

2-phenoxyethylmercury (PubChem CID 163598363) has the molecular formula C8H9HgO and a molecular weight of 321.75 g/mol. Its IUPAC name is 2-phenoxyethylmercury.

Molecular Properties

Compound Name2-phenoxyethylmercury
PubChem CID163598363
Molecular FormulaC8H9HgO
Molecular Weight321.75 g/mol
Exact Mass323.04
IUPAC Name2-phenoxyethylmercury
SMILES[Hg]CCOc1ccccc1
InChIInChI=1S/C8H9O.Hg/c1-2-9-8-6-4-3-5-7-8;/h3-7H,1-2H2;
InChIKeyGVLBUYYDZLVJKK-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 58544227
CID 58544227
2-phenoxyethyl hypobromite
CID 139931807
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
N-(2-phenoxyethoxy)methanamine
CID 117126931
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
3-phenoxypropane-1-thiol
CID 18792707
1-oxido-4-(2-phenoxyethoxy)pyridin-1-ium
CID 122456025
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
2-(2-phenoxyethoxy)ethanol
CID 7715
trifluoro-[4-(2-phenoxyethoxy)phenyl]boranuide
CID 63677658

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethylmercury?
The IUPAC name of 2-phenoxyethylmercury (CID 163598363) is 2-phenoxyethylmercury.
What is the SMILES notation for 2-phenoxyethylmercury?
The canonical SMILES for 2-phenoxyethylmercury is [Hg]CCOc1ccccc1.
What is the InChIKey of 2-phenoxyethylmercury?
The InChIKey is GVLBUYYDZLVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.Hg/c1-2-9-8-6-4-3-5-7-8;/h3-7H,1-2H2;.
What are the key properties of 2-phenoxyethylmercury?
2-phenoxyethylmercury has a molecular weight of 321.75 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethylmercury is sourced from PubChem (CID 163598363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).