[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate

C23H20O5 — CID 2358793

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C23H20O5/c1-26-19-13-11-18(12-14-19)21(24)16-28-23(25)20-9-5-6-10-22(20)27-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyFJVOLGRCWSSTMK-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.31
Rot. Bonds8

About [2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate (PubChem CID 2358793) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
PubChem CID2358793
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C23H20O5/c1-26-19-13-11-18(12-14-19)21(24)16-28-23(25)20-9-5-6-10-22(20)27-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
InChIKeyFJVOLGRCWSSTMK-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

phenacyl 2-phenylmethoxybenzoate
CID 2565163
[2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 2-acetyloxybenzoate
CID 1009884
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorophenyl)methoxy]benzoate
CID 23822412
phenacyl 2-[(3-bromophenyl)methoxy]benzoate
CID 18274703
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605697
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-oxo-2-(4-phenylphenyl)ethyl] 2-ethoxybenzoate
CID 7758309
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-phenoxybenzoate
CID 7760680
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771214
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 9202646
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate
CID 23988356
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate (CID 2358793) is [2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate is COc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate?
The InChIKey is FJVOLGRCWSSTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-26-19-13-11-18(12-14-19)21(24)16-28-23(25)20-9-5-6-10-22(20)27-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate 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-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate is sourced from PubChem (CID 2358793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).