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

C18H18O5 — CID 2604638

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C18H18O5/c1-12-6-4-5-7-14(12)18(20)23-11-16(19)15-9-8-13(21-2)10-17(15)22-3/h4-10H,11H2,1-3H3
InChIKeyLPPHCVOXNIYWFP-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.05
Rot. Bonds6

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

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate (PubChem CID 2604638) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
PubChem CID2604638
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C18H18O5/c1-12-6-4-5-7-14(12)18(20)23-11-16(19)15-9-8-13(21-2)10-17(15)22-3/h4-10H,11H2,1-3H3
InChIKeyLPPHCVOXNIYWFP-UHFFFAOYSA-N
XLogP3.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate 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

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953621
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502361
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 2663411
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-chlorobenzoate
CID 2096696
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837451
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate (CID 2604638) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate is COc1ccc(C(=O)COC(=O)c2ccccc2C)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate?
The InChIKey is LPPHCVOXNIYWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-12-6-4-5-7-14(12)18(20)23-11-16(19)15-9-8-13(21-2)10-17(15)22-3/h4-10H,11H2,1-3H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-methylbenzoate has a molecular weight of 314.34 g/mol, XLogP of 3.05, 6 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] 2-methylbenzoate is sourced from PubChem (CID 2604638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).