[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C24H22O6 — CID 7191512

IUPAC[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCOc1ccc(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C24H22O6/c1-28-21-14-13-17(15-22(21)29-2)20(25)16-30-23(26)24(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,27H,16H2,1-2H3
InChIKeyULBWREXTYDJQEK-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.37
Rot. Bonds8

About [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 7191512) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID7191512
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESCOc1ccc(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C24H22O6/c1-28-21-14-13-17(15-22(21)29-2)20(25)16-30-23(26)24(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,27H,16H2,1-2H3
InChIKeyULBWREXTYDJQEK-UHFFFAOYSA-N
XLogP3.37
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191528
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 8675820
1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105094334
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2537878
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
3,4-dimethoxybenzoic acid;methanol
CID 144580050
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 7909287
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678570

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 7191512) is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is COc1ccc(C(=O)COC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is ULBWREXTYDJQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-28-21-14-13-17(15-22(21)29-2)20(25)16-30-23(26)24(27,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,27H,16H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 406.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7191512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).