ethyl 2-cyano-3-methoxybenzoate

C11H11NO3 — CID 91882388

IUPACethyl 2-cyano-3-methoxybenzoate
SMILESCCOC(=O)c1cccc(OC)c1C#N
InChIInChI=1S/C11H11NO3/c1-3-15-11(13)8-5-4-6-10(14-2)9(8)7-12/h4-6H,3H2,1-2H3
InChIKeyWWLRAKMAUWADSC-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2-cyano-3-methoxybenzoate

ethyl 2-cyano-3-methoxybenzoate (PubChem CID 91882388) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 2-cyano-3-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2-cyano-3-methoxybenzoate
PubChem CID91882388
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl 2-cyano-3-methoxybenzoate
SMILESCCOC(=O)c1cccc(OC)c1C#N
InChIInChI=1S/C11H11NO3/c1-3-15-11(13)8-5-4-6-10(14-2)9(8)7-12/h4-6H,3H2,1-2H3
InChIKeyWWLRAKMAUWADSC-UHFFFAOYSA-N
XLogP1.74
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-cyano-3-methoxybenzoate 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 3-chloro-2-cyanobenzoate
CID 14696600
ethyl 2-cyano-3-hydrazinylbenzoate
CID 134642108
ethyl 3-cyano-4-methoxy-2-(trifluoromethylsulfanyl)benzoate
CID 134643298
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 2-cyano-6-ethyl-3-methoxybenzoate
CID 134614907
ethyl 3-(3-bromo-2-oxopropyl)-2-cyanobenzoate
CID 134643967
1-O-ethyl 2-O-[(2-methoxyphenyl)methyl] benzene-1,2-dicarboxylate
CID 91719915
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
ethyl 2-cyano-6-(hydroxymethyl)-3-methoxybenzoate
CID 134641477
ethyl 2-chlorosulfonyl-3-methoxybenzoate
CID 18434753
ethyl 4-(chloromethyl)-2-cyano-3-methoxybenzoate
CID 134651296

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-3-methoxybenzoate?
The IUPAC name of ethyl 2-cyano-3-methoxybenzoate (CID 91882388) is ethyl 2-cyano-3-methoxybenzoate.
What is the SMILES notation for ethyl 2-cyano-3-methoxybenzoate?
The canonical SMILES for ethyl 2-cyano-3-methoxybenzoate is CCOC(=O)c1cccc(OC)c1C#N.
What is the InChIKey of ethyl 2-cyano-3-methoxybenzoate?
The InChIKey is WWLRAKMAUWADSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-15-11(13)8-5-4-6-10(14-2)9(8)7-12/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-cyano-3-methoxybenzoate?
ethyl 2-cyano-3-methoxybenzoate has a molecular weight of 205.21 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-3-methoxybenzoate is sourced from PubChem (CID 91882388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).