1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione

C18H16O4 — CID 141052771

IUPAC1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione
SMILESCCOCC(=O)c1ccccc1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C18H16O4/c1-2-22-12-16(19)14-10-6-7-11-15(14)18(21)17(20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyFSRNVPVMMCLJEN-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.97
Rot. Bonds7

About 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione

1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione (PubChem CID 141052771) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione
PubChem CID141052771
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione
SMILESCCOCC(=O)c1ccccc1C(=O)C(=O)c1ccccc1
InChIInChI=1S/C18H16O4/c1-2-22-12-16(19)14-10-6-7-11-15(14)18(21)17(20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyFSRNVPVMMCLJEN-UHFFFAOYSA-N
XLogP2.97
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one
CID 24972949
2-phenacyloxy-1-phenylethanone
CID 12781821
ethoxyethane benzoate
CID 22178435
ethyl 2-oxo-2-phenylacetate
CID 15349
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-(2-ethoxyacetyl)oxybenzoic acid
CID 163885904
3-ethoxy-4-(2-ethoxyphenyl)-1-phenylbutane-1,2,4-trione
CID 66973864
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione (CID 141052771) is 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione is CCOCC(=O)c1ccccc1C(=O)C(=O)c1ccccc1.
What is the InChIKey of 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione?
The InChIKey is FSRNVPVMMCLJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-2-22-12-16(19)14-10-6-7-11-15(14)18(21)17(20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione?
1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione has a molecular weight of 296.32 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 141052771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).