O-ethyl 2-phenylethaneselenoate

C10H12OSe — CID 11042454

IUPACO-ethyl 2-phenylethaneselenoate
SMILESCCOC(=[Se])Cc1ccccc1
InChIInChI=1S/C10H12OSe/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyZVGJVKHIDZTFQA-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.56
Rot. Bonds4

About O-ethyl 2-phenylethaneselenoate

O-ethyl 2-phenylethaneselenoate (PubChem CID 11042454) has the molecular formula C10H12OSe and a molecular weight of 227.16 g/mol. Its IUPAC name is O-ethyl 2-phenylethaneselenoate.

Molecular Properties

Compound NameO-ethyl 2-phenylethaneselenoate
PubChem CID11042454
Molecular FormulaC10H12OSe
Molecular Weight227.16 g/mol
Exact Mass228.01
IUPAC NameO-ethyl 2-phenylethaneselenoate
SMILESCCOC(=[Se])Cc1ccccc1
InChIInChI=1S/C10H12OSe/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyZVGJVKHIDZTFQA-UHFFFAOYSA-N
XLogP1.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.56
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

O-methyl 2-phenylethaneselenoate
CID 15646646
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethyl carbamate;2-phenylacetic acid
CID 153376104
2-(1-ethoxy-2-phenylethylidene)propanedinitrile
CID 11401590
ethyl 3-phenyl-2-sulfanylidenepropanoate
CID 54295653
ethyl 3-benzyl-4-phenylbut-2-enoate
CID 10850364
azane;ethyl 2,3-dimethyl-4-phenylbut-2-enoate
CID 175226549
ethyl 2,4-dioxo-5-phenylpentanoate
CID 11085699
1-ethoxyethenyl 2-phenylacetate
CID 11264222
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
CID 134119528

Frequently Asked Questions

What is the IUPAC name of O-ethyl 2-phenylethaneselenoate?
The IUPAC name of O-ethyl 2-phenylethaneselenoate (CID 11042454) is O-ethyl 2-phenylethaneselenoate.
What is the SMILES notation for O-ethyl 2-phenylethaneselenoate?
The canonical SMILES for O-ethyl 2-phenylethaneselenoate is CCOC(=[Se])Cc1ccccc1.
What is the InChIKey of O-ethyl 2-phenylethaneselenoate?
The InChIKey is ZVGJVKHIDZTFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OSe/c1-2-11-10(12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of O-ethyl 2-phenylethaneselenoate?
O-ethyl 2-phenylethaneselenoate has a molecular weight of 227.16 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl 2-phenylethaneselenoate is sourced from PubChem (CID 11042454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).