(2-acetylphenyl) 2,2-diphenylacetate

C22H18O3 — CID 134840846

IUPAC(2-acetylphenyl) 2,2-diphenylacetate
SMILESCC(=O)c1ccccc1OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O3/c1-16(23)19-14-8-9-15-20(19)25-22(24)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,1H3
InChIKeyWVSJZEUPWRLTCY-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.63
Rot. Bonds5

About (2-acetylphenyl) 2,2-diphenylacetate

(2-acetylphenyl) 2,2-diphenylacetate (PubChem CID 134840846) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2-acetylphenyl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(2-acetylphenyl) 2,2-diphenylacetate
PubChem CID134840846
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name(2-acetylphenyl) 2,2-diphenylacetate
SMILESCC(=O)c1ccccc1OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O3/c1-16(23)19-14-8-9-15-20(19)25-22(24)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,1H3
InChIKeyWVSJZEUPWRLTCY-UHFFFAOYSA-N
XLogP4.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-acetylphenyl) methyl carbonate
CID 14493761
1-[2-[fluoro(phenyl)methoxy]phenyl]ethanone
CID 57364040
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
(2-acetylphenyl) 2-bromoacetate
CID 58158821
(2,3-dichlorophenyl) 2,2-diphenylacetate
CID 5086798
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
(2-nitrophenyl) 2,2-diphenylacetate
CID 3339760
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
(2-acetylphenyl) 3-methylbut-2-enoate
CID 86069754
(2-carbamoylphenyl) (2S)-2-aminopropanoate
CID 174745717
(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428
1-[2-[2-(1-phenylethoxy)ethoxy]phenyl]ethanone
CID 62031613

Frequently Asked Questions

What is the IUPAC name of (2-acetylphenyl) 2,2-diphenylacetate?
The IUPAC name of (2-acetylphenyl) 2,2-diphenylacetate (CID 134840846) is (2-acetylphenyl) 2,2-diphenylacetate.
What is the SMILES notation for (2-acetylphenyl) 2,2-diphenylacetate?
The canonical SMILES for (2-acetylphenyl) 2,2-diphenylacetate is CC(=O)c1ccccc1OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-acetylphenyl) 2,2-diphenylacetate?
The InChIKey is WVSJZEUPWRLTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-16(23)19-14-8-9-15-20(19)25-22(24)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,21H,1H3.
What are the key properties of (2-acetylphenyl) 2,2-diphenylacetate?
(2-acetylphenyl) 2,2-diphenylacetate has a molecular weight of 330.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetylphenyl) 2,2-diphenylacetate is sourced from PubChem (CID 134840846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).