[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate

C23H20O5 — CID 7760680

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H20O5/c1-2-26-18-14-12-17(13-15-18)21(24)16-27-23(25)20-10-6-7-11-22(20)28-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3
InChIKeyZGOWJCFLIAFJAZ-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.92
Rot. Bonds8

About [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate

[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 7760680) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
PubChem CID7760680
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C23H20O5/c1-2-26-18-14-12-17(13-15-18)21(24)16-27-23(25)20-10-6-7-11-22(20)28-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3
InChIKeyZGOWJCFLIAFJAZ-UHFFFAOYSA-N
XLogP4.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 2-ethoxybenzoate
CID 7758309
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7832261
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8023897
[2-(4-acetamidophenyl)-2-oxoethyl] 2-ethoxybenzoate
CID 18075363
[2-(4-nonoxyphenyl)-2-oxoethyl] 2-[2-[2-(4-nonoxyphenyl)-2-oxoethoxy]carbonylphenyl]benzoate
CID 3104665
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate
CID 1009884
[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2358793
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-phenoxybenzoate
CID 7760740
phenacyl 2-phenylmethoxybenzoate
CID 2565163

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate (CID 7760680) is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate is CCOc1ccc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is ZGOWJCFLIAFJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-2-26-18-14-12-17(13-15-18)21(24)16-27-23(25)20-10-6-7-11-22(20)28-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 376.41 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 7760680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).