methyl phenylselanylformate

C8H8O2Se — CID 10798706

IUPACmethyl phenylselanylformate
SMILESCOC(=O)[Se]c1ccccc1
InChIInChI=1S/C8H8O2Se/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyGZRXAPDFCFHMPG-UHFFFAOYSA-N
MW215.11 g/mol
LogP0.78
Rot. Bonds2

About methyl phenylselanylformate

methyl phenylselanylformate (PubChem CID 10798706) has the molecular formula C8H8O2Se and a molecular weight of 215.11 g/mol. Its IUPAC name is methyl phenylselanylformate.

Molecular Properties

Compound Namemethyl phenylselanylformate
PubChem CID10798706
Molecular FormulaC8H8O2Se
Molecular Weight215.11 g/mol
Exact Mass215.97
IUPAC Namemethyl phenylselanylformate
SMILESCOC(=O)[Se]c1ccccc1
InChIInChI=1S/C8H8O2Se/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyGZRXAPDFCFHMPG-UHFFFAOYSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl phenylselanylformate?
The IUPAC name of methyl phenylselanylformate (CID 10798706) is methyl phenylselanylformate.
What is the SMILES notation for methyl phenylselanylformate?
The canonical SMILES for methyl phenylselanylformate is COC(=O)[Se]c1ccccc1.
What is the InChIKey of methyl phenylselanylformate?
The InChIKey is GZRXAPDFCFHMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2Se/c1-10-8(9)11-7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methyl phenylselanylformate?
methyl phenylselanylformate has a molecular weight of 215.11 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl phenylselanylformate is sourced from PubChem (CID 10798706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).