ethyl 5-cyano-2-methoxybenzoate

C11H11NO3 — CID 117275313

IUPACethyl 5-cyano-2-methoxybenzoate
SMILESCCOC(=O)c1cc(C#N)ccc1OC
InChIInChI=1S/C11H11NO3/c1-3-15-11(13)9-6-8(7-12)4-5-10(9)14-2/h4-6H,3H2,1-2H3
InChIKeyJXMZKOFLNLCHKD-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.74
Rot. Bonds3

About ethyl 5-cyano-2-methoxybenzoate

ethyl 5-cyano-2-methoxybenzoate (PubChem CID 117275313) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 5-cyano-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 5-cyano-2-methoxybenzoate
PubChem CID117275313
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl 5-cyano-2-methoxybenzoate
SMILESCCOC(=O)c1cc(C#N)ccc1OC
InChIInChI=1S/C11H11NO3/c1-3-15-11(13)9-6-8(7-12)4-5-10(9)14-2/h4-6H,3H2,1-2H3
InChIKeyJXMZKOFLNLCHKD-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

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Related Compounds

ethyl 5-cyano-2-ethyl-3-methoxybenzoate
CID 134614308
ethyl 2-(4-cyano-2-methoxyphenoxy)pyridine-3-carboxylate
CID 47082860
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 5-cyano-4-ethyl-2-methoxybenzoate
CID 134614242
ethyl 2-(3-chloropropanoyl)-5-cyanobenzoate
CID 134645141
ethyl (2R)-2-(4-cyano-2-methoxyphenoxy)propanoate
CID 7371866
ethyl 5-(4-cyanobutyl)-2-methoxybenzoate
CID 10967274
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
ethyl 5-cyano-3-(hydroxymethyl)-2-methoxybenzoate
CID 134642801

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-methoxybenzoate?
The IUPAC name of ethyl 5-cyano-2-methoxybenzoate (CID 117275313) is ethyl 5-cyano-2-methoxybenzoate.
What is the SMILES notation for ethyl 5-cyano-2-methoxybenzoate?
The canonical SMILES for ethyl 5-cyano-2-methoxybenzoate is CCOC(=O)c1cc(C#N)ccc1OC.
What is the InChIKey of ethyl 5-cyano-2-methoxybenzoate?
The InChIKey is JXMZKOFLNLCHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-3-15-11(13)9-6-8(7-12)4-5-10(9)14-2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 5-cyano-2-methoxybenzoate?
ethyl 5-cyano-2-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 5-cyano-2-methoxybenzoate is sourced from PubChem (CID 117275313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).