2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione

C19H20O3 — CID 173016396

IUPAC2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione
SMILESCCC(C(=O)c1ccccc1)C(OC)C(=O)c1ccccc1
InChIInChI=1S/C19H20O3/c1-3-16(17(20)14-10-6-4-7-11-14)19(22-2)18(21)15-12-8-5-9-13-15/h4-13,16,19H,3H2,1-2H3
InChIKeyQXGUZLZXOWEVQI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.79
Rot. Bonds7

About 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione

2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione (PubChem CID 173016396) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione.

Molecular Properties

Compound Name2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione
PubChem CID173016396
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione
SMILESCCC(C(=O)c1ccccc1)C(OC)C(=O)c1ccccc1
InChIInChI=1S/C19H20O3/c1-3-16(17(20)14-10-6-4-7-11-14)19(22-2)18(21)15-12-8-5-9-13-15/h4-13,16,19H,3H2,1-2H3
InChIKeyQXGUZLZXOWEVQI-UHFFFAOYSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
(2S)-2-[(R)-(4-fluorophenyl)-hydroxymethyl]-1-phenylbutan-1-one
CID 134934694
2,3-dimethoxy-1-phenylpropan-1-one
CID 90073170
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
CID 101269774
(2R,3R)-2-ethyl-1,3-diphenylpent-4-yn-1-one
CID 122219287
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
2-methoxy-2-methyl-1-phenylbutan-1-one
CID 10261995
3-bromo-2-methoxy-1-phenylpropan-1-one
CID 14063307
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione?
The IUPAC name of 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione (CID 173016396) is 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione.
What is the SMILES notation for 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione?
The canonical SMILES for 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione is CCC(C(=O)c1ccccc1)C(OC)C(=O)c1ccccc1.
What is the InChIKey of 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione?
The InChIKey is QXGUZLZXOWEVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-3-16(17(20)14-10-6-4-7-11-14)19(22-2)18(21)15-12-8-5-9-13-15/h4-13,16,19H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione?
2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione has a molecular weight of 296.37 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxy-1,4-diphenylbutane-1,4-dione is sourced from PubChem (CID 173016396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).