3-ethyl-2-phenylselanylselenochromen-4-one

C17H14OSe2 — CID 134911243

IUPAC3-ethyl-2-phenylselanylselenochromen-4-one
SMILESCCc1c([Se]c2ccccc2)[se]c2ccccc2c1=O
InChIInChI=1S/C17H14OSe2/c1-2-13-16(18)14-10-6-7-11-15(14)20-17(13)19-12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyNQJQJULITPRCQB-UHFFFAOYSA-N
MW392.22 g/mol
LogP1.47
Rot. Bonds3

About 3-ethyl-2-phenylselanylselenochromen-4-one

3-ethyl-2-phenylselanylselenochromen-4-one (PubChem CID 134911243) has the molecular formula C17H14OSe2 and a molecular weight of 392.22 g/mol. Its IUPAC name is 3-ethyl-2-phenylselanylselenochromen-4-one.

Molecular Properties

Compound Name3-ethyl-2-phenylselanylselenochromen-4-one
PubChem CID134911243
Molecular FormulaC17H14OSe2
Molecular Weight392.22 g/mol
Exact Mass393.94
IUPAC Name3-ethyl-2-phenylselanylselenochromen-4-one
SMILESCCc1c([Se]c2ccccc2)[se]c2ccccc2c1=O
InChIInChI=1S/C17H14OSe2/c1-2-13-16(18)14-10-6-7-11-15(14)20-17(13)19-12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKeyNQJQJULITPRCQB-UHFFFAOYSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 51.47
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

molecular iodine;selenoxanthen-9-one
CID 134913960
11,12-bis(phenylselanyl)-9,14-diselenapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 177484303
2-hydroxy-3-methylselenochromen-4-one
CID 134911237
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
1-methylselenoxanthen-9-one
CID 154714839
1-phenylselanylnaphthalene
CID 11196823
2-benzyl-3-ethyl-1H-quinolin-4-one
CID 131850781
1,4-diethylnaphthalene-2,3-dicarboxylic acid
CID 19961477
9-ethyl-10-[(10-ethylanthracen-9-yl)methyl]anthracene
CID 59194323
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753
phenylselanylbenzene;dihydrochloride
CID 173104242
3,5-diethyl-2,6-diphenylpyran-4-one
CID 59161433

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-phenylselanylselenochromen-4-one?
The IUPAC name of 3-ethyl-2-phenylselanylselenochromen-4-one (CID 134911243) is 3-ethyl-2-phenylselanylselenochromen-4-one.
What is the SMILES notation for 3-ethyl-2-phenylselanylselenochromen-4-one?
The canonical SMILES for 3-ethyl-2-phenylselanylselenochromen-4-one is CCc1c([Se]c2ccccc2)[se]c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-2-phenylselanylselenochromen-4-one?
The InChIKey is NQJQJULITPRCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OSe2/c1-2-13-16(18)14-10-6-7-11-15(14)20-17(13)19-12-8-4-3-5-9-12/h3-11H,2H2,1H3.
What are the key properties of 3-ethyl-2-phenylselanylselenochromen-4-one?
3-ethyl-2-phenylselanylselenochromen-4-one has a molecular weight of 392.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-phenylselanylselenochromen-4-one is sourced from PubChem (CID 134911243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).