[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate

C23H20O5 — CID 7949326

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C23H20O5/c1-26-22-14-8-7-13-20(22)21(24)16-28-23(25)19-12-6-5-9-17(19)15-27-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeyCDQXCALTQHAWFR-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.31
Rot. Bonds8

About [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate

[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate (PubChem CID 7949326) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
PubChem CID7949326
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C23H20O5/c1-26-22-14-8-7-13-20(22)21(24)16-28-23(25)19-12-6-5-9-17(19)15-27-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeyCDQXCALTQHAWFR-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949391
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
CID 7949334
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867502
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653271
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653346
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653349

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate (CID 7949326) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate is COc1ccccc1C(=O)COC(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
The InChIKey is CDQXCALTQHAWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-26-22-14-8-7-13-20(22)21(24)16-28-23(25)19-12-6-5-9-17(19)15-27-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate has a molecular weight of 376.41 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 7949326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).