ethyl 2-phenoxy-2,2-diphenylacetate

C22H20O3 — CID 134961459

IUPACethyl 2-phenoxy-2,2-diphenylacetate
SMILESCCOC(=O)C(Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O3/c1-2-24-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)25-20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyCGMCGKMGYQWIRY-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.57
Rot. Bonds6

About ethyl 2-phenoxy-2,2-diphenylacetate

ethyl 2-phenoxy-2,2-diphenylacetate (PubChem CID 134961459) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 2-phenoxy-2,2-diphenylacetate.

Molecular Properties

Compound Nameethyl 2-phenoxy-2,2-diphenylacetate
PubChem CID134961459
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Nameethyl 2-phenoxy-2,2-diphenylacetate
SMILESCCOC(=O)C(Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O3/c1-2-24-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)25-20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKeyCGMCGKMGYQWIRY-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate
CID 54148277
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
diethyl 2-methylsulfanyl-2-phenylpropanedioate
CID 10517021
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560
ethyl 2-ethoxy-2-phenylbutanoate
CID 141059319
ethyl 2-(3-ethoxyphenyl)-2-phenylpropanoate
CID 140570358

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenoxy-2,2-diphenylacetate?
The IUPAC name of ethyl 2-phenoxy-2,2-diphenylacetate (CID 134961459) is ethyl 2-phenoxy-2,2-diphenylacetate.
What is the SMILES notation for ethyl 2-phenoxy-2,2-diphenylacetate?
The canonical SMILES for ethyl 2-phenoxy-2,2-diphenylacetate is CCOC(=O)C(Oc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-phenoxy-2,2-diphenylacetate?
The InChIKey is CGMCGKMGYQWIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-2-24-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)25-20-16-10-5-11-17-20/h3-17H,2H2,1H3.
What are the key properties of ethyl 2-phenoxy-2,2-diphenylacetate?
ethyl 2-phenoxy-2,2-diphenylacetate has a molecular weight of 332.40 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenoxy-2,2-diphenylacetate is sourced from PubChem (CID 134961459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).