[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate

C24H20O6 — CID 1009884

IUPAC[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H20O6/c1-17(25)30-23-10-6-5-9-21(23)24(27)29-16-22(26)19-11-13-20(14-12-19)28-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyMQTRBAWMLGFNEA-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.23
Rot. Bonds8

About [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate

[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate (PubChem CID 1009884) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate
PubChem CID1009884
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate
SMILESCC(=O)Oc1ccccc1C(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H20O6/c1-17(25)30-23-10-6-5-9-21(23)24(27)29-16-22(26)19-11-13-20(14-12-19)28-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKeyMQTRBAWMLGFNEA-UHFFFAOYSA-N
XLogP4.23
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2358793
phenacyl 2-phenylmethoxybenzoate
CID 2565163
[2-(4-nitrophenyl)-2-oxoethyl] 2-acetyloxybenzoate
CID 815642
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
CID 7760680
phenacyl 2-[(3-bromophenyl)methoxy]benzoate
CID 18274703
[2-(4-acetyloxyphenyl)-2-oxoethyl] benzoate
CID 4569147
[2-(4-fluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625196
[2-(4-bromophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 18276849
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
[2-(4-acetyloxyphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 3298622
[1-[2-oxo-2-(4-phenylmethoxyphenyl)ethyl]pyrrol-2-yl] acetate
CID 174734769
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate?
The IUPAC name of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate (CID 1009884) is [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate?
The canonical SMILES for [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate is CC(=O)Oc1ccccc1C(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate?
The InChIKey is MQTRBAWMLGFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-17(25)30-23-10-6-5-9-21(23)24(27)29-16-22(26)19-11-13-20(14-12-19)28-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3.
What are the key properties of [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate?
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate has a molecular weight of 404.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate is sourced from PubChem (CID 1009884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).