[2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate

C15H18O7 — CID 10662709

IUPAC[2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate
SMILESCOc1cc(OC)c(C(=O)COC(C)=O)c(OC(C)=O)c1C
InChIInChI=1S/C15H18O7/c1-8-12(19-4)6-13(20-5)14(15(8)22-10(3)17)11(18)7-21-9(2)16/h6H,7H2,1-5H3
InChIKeyYOFOZJHBXTZKKE-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.68
Rot. Bonds6

About [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate

[2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate (PubChem CID 10662709) has the molecular formula C15H18O7 and a molecular weight of 310.30 g/mol. Its IUPAC name is [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate
PubChem CID10662709
Molecular FormulaC15H18O7
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name[2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate
SMILESCOc1cc(OC)c(C(=O)COC(C)=O)c(OC(C)=O)c1C
InChIInChI=1S/C15H18O7/c1-8-12(19-4)6-13(20-5)14(15(8)22-10(3)17)11(18)7-21-9(2)16/h6H,7H2,1-5H3
InChIKeyYOFOZJHBXTZKKE-UHFFFAOYSA-N
XLogP1.68
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344
(2-formyl-3,5-dimethoxy-6-methylphenyl) acetate
CID 131861598
2-(N-acetyl-3-acetyloxy-5-methoxy-2,4-dimethylanilino)ethyl acetate
CID 101318888
[2-(2-acetyloxy-4-methylphenyl)-2-oxoethyl] acetate
CID 175144478
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
[2-(2,6-dimethylphenyl)-2-oxoethyl] acetate
CID 146006483
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
(3-acetyloxy-4-hydroxy-2-iodo-5-methoxyphenyl) acetate
CID 163968494
(6-methoxy-5-methyl-1-oxo-3H-2-benzofuran-4-yl) acetate
CID 86136248
(4-acetyloxy-3-methoxy-8-methylnaphthalen-1-yl) acetate
CID 19872716
(2-iodo-4,5-dimethoxyphenyl) acetate
CID 171366364

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate?
The IUPAC name of [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate (CID 10662709) is [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate is COc1cc(OC)c(C(=O)COC(C)=O)c(OC(C)=O)c1C.
What is the InChIKey of [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate?
The InChIKey is YOFOZJHBXTZKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O7/c1-8-12(19-4)6-13(20-5)14(15(8)22-10(3)17)11(18)7-21-9(2)16/h6H,7H2,1-5H3.
What are the key properties of [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate?
[2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate has a molecular weight of 310.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetyloxy-4,6-dimethoxy-3-methylphenyl)-2-oxoethyl] acetate is sourced from PubChem (CID 10662709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).