methyl 2-(2-cyano-4-methoxyphenyl)acetate

C11H11NO3 — CID 67407512

IUPACmethyl 2-(2-cyano-4-methoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(OC)cc1C#N
InChIInChI=1S/C11H11NO3/c1-14-10-4-3-8(6-11(13)15-2)9(5-10)7-12/h3-5H,6H2,1-2H3
InChIKeySXBSAVITBSYNCF-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-(2-cyano-4-methoxyphenyl)acetate

methyl 2-(2-cyano-4-methoxyphenyl)acetate (PubChem CID 67407512) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 2-(2-cyano-4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyano-4-methoxyphenyl)acetate
PubChem CID67407512
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 2-(2-cyano-4-methoxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(OC)cc1C#N
InChIInChI=1S/C11H11NO3/c1-14-10-4-3-8(6-11(13)15-2)9(5-10)7-12/h3-5H,6H2,1-2H3
InChIKeySXBSAVITBSYNCF-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-(2-cyano-4,5-dihydroxyphenyl)acetate
CID 131304659
methyl 2-(4-cyano-3-methoxy-2-methylphenyl)acetate
CID 77230692
methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate
CID 134658267
methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 81296575
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
methyl 2-[4-(chloromethyl)-5-cyano-2-methylphenyl]acetate
CID 131372818
methyl 2-[4-(aminomethyl)-5-cyano-2-methylphenyl]acetate
CID 134635196
methyl 2-[5-(chloromethyl)-4-cyano-2-methylphenyl]acetate
CID 131372810
methyl 2-(2-cyano-5-methoxy-N-methylanilino)acetate
CID 81299754
methyl 2-(3-cyano-2-methoxyphenyl)acetate
CID 134658149
methyl 2-[4-(aminomethyl)-2-chloro-5-cyanophenyl]acetate
CID 134658171
methyl 2-[5-(aminomethyl)-2-cyano-4-methoxyphenyl]acetate
CID 134640501

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyano-4-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(2-cyano-4-methoxyphenyl)acetate (CID 67407512) is methyl 2-(2-cyano-4-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-cyano-4-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-cyano-4-methoxyphenyl)acetate is COC(=O)Cc1ccc(OC)cc1C#N.
What is the InChIKey of methyl 2-(2-cyano-4-methoxyphenyl)acetate?
The InChIKey is SXBSAVITBSYNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-14-10-4-3-8(6-11(13)15-2)9(5-10)7-12/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(2-cyano-4-methoxyphenyl)acetate?
methyl 2-(2-cyano-4-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-(2-cyano-4-methoxyphenyl)acetate is sourced from PubChem (CID 67407512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).