[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate

C19H20O5 — CID 2543120

IUPAC[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H20O5/c1-12-5-7-15(13(2)9-12)19(21)24-11-16(20)14-6-8-17(22-3)18(10-14)23-4/h5-10H,11H2,1-4H3
InChIKeyUGFKUBKRAFMDIC-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.36
Rot. Bonds6

About [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate (PubChem CID 2543120) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
PubChem CID2543120
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C19H20O5/c1-12-5-7-15(13(2)9-12)19(21)24-11-16(20)14-6-8-17(22-3)18(10-14)23-4/h5-10H,11H2,1-4H3
InChIKeyUGFKUBKRAFMDIC-UHFFFAOYSA-N
XLogP3.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544243
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2,5-dimethylbenzoate
CID 23732985
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849220
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788521
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2537878
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501118
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678570

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate (CID 2543120) is [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate is COc1ccc(C(=O)COC(=O)c2ccc(C)cc2C)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate?
The InChIKey is UGFKUBKRAFMDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-12-5-7-15(13(2)9-12)19(21)24-11-16(20)14-6-8-17(22-3)18(10-14)23-4/h5-10H,11H2,1-4H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate?
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate has a molecular weight of 328.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate is sourced from PubChem (CID 2543120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).