(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one

C25H24O4 — CID 174950193

IUPAC(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
SMILESCC(=O)OC(C(=O)c1ccccc1)c1ccccc1.CCC(=O)c1ccccc1
InChIInChI=1S/C16H14O3.C9H10O/c1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13;1-2-9(10)8-6-4-3-5-7-8/h2-11,16H,1H3;3-7H,2H2,1H3
InChIKeyYLDRFAWVQOGHJW-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.45
Rot. Bonds6

About (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one

(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one (PubChem CID 174950193) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
PubChem CID174950193
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
SMILESCC(=O)OC(C(=O)c1ccccc1)c1ccccc1.CCC(=O)c1ccccc1
InChIInChI=1S/C16H14O3.C9H10O/c1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13;1-2-9(10)8-6-4-3-5-7-8/h2-11,16H,1H3;3-7H,2H2,1H3
InChIKeyYLDRFAWVQOGHJW-UHFFFAOYSA-N
XLogP5.45
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-acetyloxy-2-phenylacetyl)phenyl] acetate
CID 11266944
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
1-phenyl(111C)propan-1-one
CID 11159350
[1-(4-nitrophenyl)-2-oxo-2-phenylethyl] acetate
CID 2754201
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
(2-oxo-1,2-diphenylethyl) 2,2-diphenylacetate
CID 2935756
ethyl 2-(1-acetyloxy-2-oxo-2-phenylethyl)peroxy-2-phenylacetate
CID 175543472
(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
CID 11780090
(2-ethylsulfanyl-2-oxo-1-phenylethyl) acetate
CID 12812078

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one?
The IUPAC name of (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one (CID 174950193) is (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one is CC(=O)OC(C(=O)c1ccccc1)c1ccccc1.CCC(=O)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one?
The InChIKey is YLDRFAWVQOGHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3.C9H10O/c1-12(17)19-16(14-10-6-3-7-11-14)15(18)13-8-4-2-5-9-13;1-2-9(10)8-6-4-3-5-7-8/h2-11,16H,1H3;3-7H,2H2,1H3.
What are the key properties of (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one?
(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one has a molecular weight of 388.46 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one is sourced from PubChem (CID 174950193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).