[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate

C18H18O4 — CID 57251946

IUPAC[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate
SMILESCOc1ccccc1CC(=O)OC(=O)Cc1ccccc1C
InChIInChI=1S/C18H18O4/c1-13-7-3-4-8-14(13)11-17(19)22-18(20)12-15-9-5-6-10-16(15)21-2/h3-10H,11-12H2,1-2H3
InChIKeyVMJKNJSBBOWJBP-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.86
Rot. Bonds5

About [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate

[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate (PubChem CID 57251946) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate
PubChem CID57251946
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate
SMILESCOc1ccccc1CC(=O)OC(=O)Cc1ccccc1C
InChIInChI=1S/C18H18O4/c1-13-7-3-4-8-14(13)11-17(19)22-18(20)12-15-9-5-6-10-16(15)21-2/h3-10H,11-12H2,1-2H3
InChIKeyVMJKNJSBBOWJBP-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
2-(2-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanone
CID 43337338
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
butan-2-yl 2-(2-methoxyphenyl)acetate
CID 177225373
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate
CID 174951239
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110818228
2-(2-methylphenyl)acetic acid
CID 67440217
[2-(2-methoxyphenyl)acetyl] 3-formylbenzoate
CID 174425921

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate (CID 57251946) is [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate is COc1ccccc1CC(=O)OC(=O)Cc1ccccc1C.
What is the InChIKey of [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate?
The InChIKey is VMJKNJSBBOWJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13-7-3-4-8-14(13)11-17(19)22-18(20)12-15-9-5-6-10-16(15)21-2/h3-10H,11-12H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate?
[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate has a molecular weight of 298.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 57251946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).