[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate

C23H20O5 — CID 2520644

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H20O5/c1-26-19-12-13-20(22(14-19)27-2)21(24)15-28-23(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyNZFODKOARHHEJL-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.41
Rot. Bonds7

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate (PubChem CID 2520644) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
PubChem CID2520644
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C23H20O5/c1-26-19-12-13-20(22(14-19)27-2)21(24)15-28-23(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyNZFODKOARHHEJL-UHFFFAOYSA-N
XLogP4.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133589
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7864763
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833977
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 2604638
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501210
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 42970701
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8657144

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate (CID 2520644) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate is COc1ccc(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate?
The InChIKey is NZFODKOARHHEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-26-19-12-13-20(22(14-19)27-2)21(24)15-28-23(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate has a molecular weight of 376.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate is sourced from PubChem (CID 2520644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).