[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate

C25H24O4 — CID 7704381

IUPAC[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
SMILESCCOc1ccc(C(=O)[C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24O4/c1-3-28-23-15-13-22(14-16-23)25(27)18(2)29-24(26)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-16,18H,3,17H2,1-2H3/t18-/m1/s1
InChIKeyVVSPCTKELCHNHK-GOSISDBHSA-N
MW388.46 g/mol
LogP5.11
Rot. Bonds8

About [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate

[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate (PubChem CID 7704381) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
PubChem CID7704381
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
SMILESCCOc1ccc(C(=O)[C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H24O4/c1-3-28-23-15-13-22(14-16-23)25(27)18(2)29-24(26)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-16,18H,3,17H2,1-2H3/t18-/m1/s1
InChIKeyVVSPCTKELCHNHK-GOSISDBHSA-N
XLogP5.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766727
(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
CID 55317467
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate
CID 42984082
(1-oxo-1-phenylpropan-2-yl) 2-(4-ethylphenoxy)acetate
CID 55316789
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763826
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 4024551
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 42900397
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate (CID 7704381) is [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate is CCOc1ccc(C(=O)[C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate?
The InChIKey is VVSPCTKELCHNHK-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24O4/c1-3-28-23-15-13-22(14-16-23)25(27)18(2)29-24(26)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20/h4-16,18H,3,17H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate?
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate has a molecular weight of 388.46 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 7704381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).