[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C24H22O4 — CID 7191528

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCCc1ccc(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22O4/c1-2-18-13-15-19(16-14-18)22(25)17-28-23(26)24(27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,27H,2,17H2,1H3
InChIKeyHJGLBJQGUDSZQR-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.91
Rot. Bonds7

About [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 7191528) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID7191528
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCCc1ccc(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H22O4/c1-2-18-13-15-19(16-14-18)22(25)17-28-23(26)24(27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,27H,2,17H2,1H3
InChIKeyHJGLBJQGUDSZQR-UHFFFAOYSA-N
XLogP3.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 4269875
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191512
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 8675820
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
[2-(4-bromophenyl)-2-oxoethyl] 4-ethylbenzoate
CID 874966
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 27931453
[2-(4-ethylphenyl)-2-oxoethyl] 2-(ethylamino)benzoate
CID 902764
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
[2-(4-ethylphenyl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 1332079

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 7191528) is [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is CCc1ccc(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is HJGLBJQGUDSZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-2-18-13-15-19(16-14-18)22(25)17-28-23(26)24(27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,27H,2,17H2,1H3.
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 374.44 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7191528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).