ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate

C12H13NO4 — CID 134654711

IUPACethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1c(O)cc(C#N)cc1OC
InChIInChI=1S/C12H13NO4/c1-3-17-12(15)6-9-10(14)4-8(7-13)5-11(9)16-2/h4-5,14H,3,6H2,1-2H3
InChIKeyNXMGEXPYBMPPBF-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.38
Rot. Bonds4

About ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate

ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate (PubChem CID 134654711) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate
PubChem CID134654711
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Nameethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1c(O)cc(C#N)cc1OC
InChIInChI=1S/C12H13NO4/c1-3-17-12(15)6-9-10(14)4-8(7-13)5-11(9)16-2/h4-5,14H,3,6H2,1-2H3
InChIKeyNXMGEXPYBMPPBF-UHFFFAOYSA-N
XLogP1.38
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate 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-bromo-4-cyano-6-methoxyphenyl)acetate
CID 134652635
ethyl 2-[4-cyano-2-(hydroxymethyl)-6-methoxyphenyl]acetate
CID 134655167
ethyl 2-(2,4,6-trihydroxyphenyl)acetate
CID 96710196
ethyl 5-cyano-2-ethyl-3-methoxybenzoate
CID 134614308
ethane;ethyl 2-(4-cyano-2-hydroxyphenyl)acetate
CID 156725106
ethyl 2-(2-cyano-6-methoxy-4-nitrophenyl)acetate
CID 134654158
ethyl 2-[3-(bromomethyl)-5-cyano-2-ethylphenyl]acetate
CID 134614787
ethyl 2-(3-cyano-4-methoxyphenyl)acetate
CID 134652114
ethyl 2-[4-cyano-2-(trifluoromethoxy)-6-(trifluoromethyl)phenyl]acetate
CID 134653867
ethyl 2-(2-cyano-6-hydroxy-3-methylphenyl)acetate
CID 134632251
ethyl 2-(5-cyano-2-fluoro-3-methylphenyl)acetate
CID 134633593
ethyl 2-(2-chloro-5-cyano-3-methylphenyl)acetate
CID 134653257

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate (CID 134654711) is ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate is CCOC(=O)Cc1c(O)cc(C#N)cc1OC.
What is the InChIKey of ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate?
The InChIKey is NXMGEXPYBMPPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-3-17-12(15)6-9-10(14)4-8(7-13)5-11(9)16-2/h4-5,14H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate?
ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate has a molecular weight of 235.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyano-2-hydroxy-6-methoxyphenyl)acetate is sourced from PubChem (CID 134654711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).