ethyl 3-methoxy-2-propanoylbenzoate

C13H16O4 — CID 134642585

IUPACethyl 3-methoxy-2-propanoylbenzoate
SMILESCCOC(=O)c1cccc(OC)c1C(=O)CC
InChIInChI=1S/C13H16O4/c1-4-10(14)12-9(13(15)17-5-2)7-6-8-11(12)16-3/h6-8H,4-5H2,1-3H3
InChIKeyBKVOHRNWJGLKBN-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.46
Rot. Bonds5

About ethyl 3-methoxy-2-propanoylbenzoate

ethyl 3-methoxy-2-propanoylbenzoate (PubChem CID 134642585) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 3-methoxy-2-propanoylbenzoate.

Molecular Properties

Compound Nameethyl 3-methoxy-2-propanoylbenzoate
PubChem CID134642585
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Nameethyl 3-methoxy-2-propanoylbenzoate
SMILESCCOC(=O)c1cccc(OC)c1C(=O)CC
InChIInChI=1S/C13H16O4/c1-4-10(14)12-9(13(15)17-5-2)7-6-8-11(12)16-3/h6-8H,4-5H2,1-3H3
InChIKeyBKVOHRNWJGLKBN-UHFFFAOYSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-methoxy-2-propanoylbenzoate 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-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
ethyl 2-(difluoromethoxy)-6-propanoylbenzoate
CID 134643032
ethyl 2-chlorosulfonyl-3-methoxybenzoate
CID 18434753
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
2-ethoxycarbonyl-6-(N-(2-methoxyphenyl)anilino)benzoic acid
CID 69313643
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 2-formyl-3-propanoylbenzoate
CID 134642892
ethyl 2-iodo-6-propanoylbenzoate
CID 134641127
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxy-2-propanoylbenzoate?
The IUPAC name of ethyl 3-methoxy-2-propanoylbenzoate (CID 134642585) is ethyl 3-methoxy-2-propanoylbenzoate.
What is the SMILES notation for ethyl 3-methoxy-2-propanoylbenzoate?
The canonical SMILES for ethyl 3-methoxy-2-propanoylbenzoate is CCOC(=O)c1cccc(OC)c1C(=O)CC.
What is the InChIKey of ethyl 3-methoxy-2-propanoylbenzoate?
The InChIKey is BKVOHRNWJGLKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-10(14)12-9(13(15)17-5-2)7-6-8-11(12)16-3/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 3-methoxy-2-propanoylbenzoate?
ethyl 3-methoxy-2-propanoylbenzoate has a molecular weight of 236.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methoxy-2-propanoylbenzoate is sourced from PubChem (CID 134642585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).