1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone

C20H24O4Se — CID 21357126

IUPAC1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone
SMILESCOc1ccc(C(=O)C[Se](C)(C)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O4Se/c1-23-17-9-5-15(6-10-17)19(21)13-25(3,4)14-20(22)16-7-11-18(24-2)12-8-16/h5-12H,13-14H2,1-4H3
InChIKeyVVJRSNGXZMXWOQ-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.48
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone

1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone (PubChem CID 21357126) has the molecular formula C20H24O4Se and a molecular weight of 407.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone
PubChem CID21357126
Molecular FormulaC20H24O4Se
Molecular Weight407.37 g/mol
Exact Mass408.08
IUPAC Name1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone
SMILESCOc1ccc(C(=O)C[Se](C)(C)CC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O4Se/c1-23-17-9-5-15(6-10-17)19(21)13-25(3,4)14-20(22)16-7-11-18(24-2)12-8-16/h5-12H,13-14H2,1-4H3
InChIKeyVVJRSNGXZMXWOQ-UHFFFAOYSA-N
XLogP4.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
CID 6424832
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone (CID 21357126) is 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone is COc1ccc(C(=O)C[Se](C)(C)CC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone?
The InChIKey is VVJRSNGXZMXWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4Se/c1-23-17-9-5-15(6-10-17)19(21)13-25(3,4)14-20(22)16-7-11-18(24-2)12-8-16/h5-12H,13-14H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone?
1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone has a molecular weight of 407.37 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone is sourced from PubChem (CID 21357126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).