ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate

C12H14O5 — CID 22560922

IUPACethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C12H14O5/c1-4-17-12(14)11(13)10-8(15-2)6-5-7-9(10)16-3/h5-7H,4H2,1-3H3
InChIKeyJQLPWEAWMMDNTQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.45
Rot. Bonds5

About ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate

ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate (PubChem CID 22560922) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
PubChem CID22560922
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Nameethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C12H14O5/c1-4-17-12(14)11(13)10-8(15-2)6-5-7-9(10)16-3/h5-7H,4H2,1-3H3
InChIKeyJQLPWEAWMMDNTQ-UHFFFAOYSA-N
XLogP1.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate 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

ethyl 2-[2-(fluoromethyl)-6-methoxyphenyl]-2-oxoacetate
CID 117352678
ethyl 2-(3,6-dimethoxy-2-methylphenyl)-2-oxoacetate
CID 117383449
ethyl 2-(2,6-dimethylphenyl)-2-oxoacetate
CID 24722257
ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)-2-oxoacetate
CID 117484704
ethyl 2-[2-(difluoromethyl)-3-methoxyphenyl]-2-oxoacetate
CID 117398677
ethyl 2-(4-methoxy-1H-indol-2-yl)-2-oxoacetate
CID 115072498
ethyl 2-(3-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 91657232
ethyl (Z)-2-(2,6-dimethoxyphenyl)-4-ethoxy-3-hydroxybut-2-enoate
CID 162416205
ethyl 2-(2-methoxy-3-methylphenyl)-2-oxoacetate
CID 117317826
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
ethyl 2-(2-bromo-6-fluorophenyl)-2-oxoacetate
CID 74889471
2,6-dimethoxybenzohydrazide
CID 2806104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate (CID 22560922) is ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate is CCOC(=O)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate?
The InChIKey is JQLPWEAWMMDNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-4-17-12(14)11(13)10-8(15-2)6-5-7-9(10)16-3/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate?
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate has a molecular weight of 238.24 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate is sourced from PubChem (CID 22560922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).