methyl 2-(3-cyano-2-methoxyphenyl)acetate

C11H11NO3 — CID 134658149

IUPACmethyl 2-(3-cyano-2-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cccc(C#N)c1OC
InChIInChI=1S/C11H11NO3/c1-14-10(13)6-8-4-3-5-9(7-12)11(8)15-2/h3-5H,6H2,1-2H3
InChIKeyHYXSJQGNFCYZQI-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-(3-cyano-2-methoxyphenyl)acetate

methyl 2-(3-cyano-2-methoxyphenyl)acetate (PubChem CID 134658149) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-(3-cyano-2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyano-2-methoxyphenyl)acetate
PubChem CID134658149
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 2-(3-cyano-2-methoxyphenyl)acetate
SMILESCOC(=O)Cc1cccc(C#N)c1OC
InChIInChI=1S/C11H11NO3/c1-14-10(13)6-8-4-3-5-9(7-12)11(8)15-2/h3-5H,6H2,1-2H3
InChIKeyHYXSJQGNFCYZQI-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-cyano-3-methoxy-2-methylphenyl)acetate
CID 77230692
methyl 2-[4-(aminomethyl)-3-cyano-2-methoxyphenyl]acetate
CID 134640541
methyl 2-(2-cyano-4-methoxyphenyl)acetate
CID 67407512
methyl 2-[5-(aminomethyl)-2-cyano-4-methoxyphenyl]acetate
CID 134640501
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 104859148
methyl 3-[2-cyano-6-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 134653429
methyl 3-(5-bromo-3-cyano-2-methoxyphenyl)propanoate
CID 126586337
methyl 2-(2-cyano-4,5-dihydroxyphenyl)acetate
CID 131304659
methyl 2-[(3-cyano-2-fluorophenyl)methylsulfonyl]acetate
CID 107120019
methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate
CID 134658267
methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate
CID 11187557

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyano-2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(3-cyano-2-methoxyphenyl)acetate (CID 134658149) is methyl 2-(3-cyano-2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3-cyano-2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(3-cyano-2-methoxyphenyl)acetate is COC(=O)Cc1cccc(C#N)c1OC.
What is the InChIKey of methyl 2-(3-cyano-2-methoxyphenyl)acetate?
The InChIKey is HYXSJQGNFCYZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-10(13)6-8-4-3-5-9(7-12)11(8)15-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(3-cyano-2-methoxyphenyl)acetate?
methyl 2-(3-cyano-2-methoxyphenyl)acetate has a molecular weight of 205.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyano-2-methoxyphenyl)acetate is sourced from PubChem (CID 134658149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).