(4-ethylphenyl) 2,2-diphenylacetate

C22H20O2 — CID 1226572

IUPAC(4-ethylphenyl) 2,2-diphenylacetate
SMILESCCc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-2-17-13-15-20(16-14-17)24-22(23)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3
InChIKeyPCYMJCITELPOJD-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.99
Rot. Bonds5

About (4-ethylphenyl) 2,2-diphenylacetate

(4-ethylphenyl) 2,2-diphenylacetate (PubChem CID 1226572) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4-ethylphenyl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(4-ethylphenyl) 2,2-diphenylacetate
PubChem CID1226572
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name(4-ethylphenyl) 2,2-diphenylacetate
SMILESCCc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20O2/c1-2-17-13-15-20(16-14-17)24-22(23)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3
InChIKeyPCYMJCITELPOJD-UHFFFAOYSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-diphenylacetyl)oxybenzoate
CID 6956217
(4-ethylphenyl) (4-phenylphenyl) carbonate
CID 118690250
bis(4-ethylphenyl) carbonate;carbonic acid
CID 159757999
(4-ethylphenyl) carbamate
CID 1269945
dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate
CID 2463089
[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
CID 23597756
phenyl 2-(4-ethylphenoxy)acetate
CID 19178986
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
bis[3-(4-ethylphenyl)-3-phenylpropyl] carbonate
CID 67180371
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487
[4-(1-phenylethyl)phenyl] 2,2-bis(sulfanyl)acetate
CID 118619471

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) 2,2-diphenylacetate?
The IUPAC name of (4-ethylphenyl) 2,2-diphenylacetate (CID 1226572) is (4-ethylphenyl) 2,2-diphenylacetate.
What is the SMILES notation for (4-ethylphenyl) 2,2-diphenylacetate?
The canonical SMILES for (4-ethylphenyl) 2,2-diphenylacetate is CCc1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl) 2,2-diphenylacetate?
The InChIKey is PCYMJCITELPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-2-17-13-15-20(16-14-17)24-22(23)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3.
What are the key properties of (4-ethylphenyl) 2,2-diphenylacetate?
(4-ethylphenyl) 2,2-diphenylacetate has a molecular weight of 316.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) 2,2-diphenylacetate is sourced from PubChem (CID 1226572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).