phenacyl 2,2-diphenylacetate

C22H18O3 — CID 597416

IUPACphenacyl 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O3/c23-20(17-10-4-1-5-11-17)16-25-22(24)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyXTEAQMVXFXGGEL-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.24
Rot. Bonds6

About phenacyl 2,2-diphenylacetate

phenacyl 2,2-diphenylacetate (PubChem CID 597416) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is phenacyl 2,2-diphenylacetate.

Molecular Properties

Compound Namephenacyl 2,2-diphenylacetate
PubChem CID597416
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Namephenacyl 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O3/c23-20(17-10-4-1-5-11-17)16-25-22(24)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyXTEAQMVXFXGGEL-UHFFFAOYSA-N
XLogP4.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 4993605
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
[4-[2-(2,2-diphenylacetyl)oxyacetyl]phenyl] 3-methoxybenzoate
CID 3910563
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 7542520
(3S)-3-amino-4-oxo-4-phenacyloxybutanoic acid
CID 15736548
3-amino-4-oxo-4-phenacyloxybutanoic acid
CID 71344566
phenacyl 2-propylpentanoate
CID 3018234
(3S)-3-amino-4-oxo-4-phenacyloxybutanoic acid;hydrochloride
CID 71351428
[2-(2,5-difluorophenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 8578754
2-phenacyloxy-1-phenylethanone
CID 12781821
[2-oxo-2-(propan-2-ylamino)ethyl] 2,2-diphenylacetate
CID 2520764

Frequently Asked Questions

What is the IUPAC name of phenacyl 2,2-diphenylacetate?
The IUPAC name of phenacyl 2,2-diphenylacetate (CID 597416) is phenacyl 2,2-diphenylacetate.
What is the SMILES notation for phenacyl 2,2-diphenylacetate?
The canonical SMILES for phenacyl 2,2-diphenylacetate is O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of phenacyl 2,2-diphenylacetate?
The InChIKey is XTEAQMVXFXGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c23-20(17-10-4-1-5-11-17)16-25-22(24)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,21H,16H2.
What are the key properties of phenacyl 2,2-diphenylacetate?
phenacyl 2,2-diphenylacetate has a molecular weight of 330.38 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2,2-diphenylacetate is sourced from PubChem (CID 597416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).