ethyl 2-(2-cyanophenyl)-2-hydroxyacetate

C11H11NO3 — CID 75251664

IUPACethyl 2-(2-cyanophenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccccc1C#N
InChIInChI=1S/C11H11NO3/c1-2-15-11(14)10(13)9-6-4-3-5-8(9)7-12/h3-6,10,13H,2H2,1H3
InChIKeyLPDQDGLXSCPWCM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.15
Rot. Bonds3

About ethyl 2-(2-cyanophenyl)-2-hydroxyacetate

ethyl 2-(2-cyanophenyl)-2-hydroxyacetate (PubChem CID 75251664) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 2-(2-cyanophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-cyanophenyl)-2-hydroxyacetate
PubChem CID75251664
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Nameethyl 2-(2-cyanophenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccccc1C#N
InChIInChI=1S/C11H11NO3/c1-2-15-11(14)10(13)9-6-4-3-5-8(9)7-12/h3-6,10,13H,2H2,1H3
InChIKeyLPDQDGLXSCPWCM-UHFFFAOYSA-N
XLogP1.15
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-(2-cyanophenyl)propanedioate
CID 13050091
ethyl 4-(2-cyanophenyl)-3,4-dihydroxybutanoate
CID 171897124
ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
CID 117379559
ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
CID 117352981
propyl 4-(2-cyanophenyl)-4-hydroxybutanoate
CID 107936565
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
ethyl 4-(3-cyano-2-methylphenyl)-3,4-dihydroxybutanoate
CID 171897441
methyl (2S)-2-amino-2-(2-cyanophenyl)acetate
CID 130692626
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
2-(1-amino-2-oxopropyl)benzonitrile
CID 55294703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyanophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2-cyanophenyl)-2-hydroxyacetate (CID 75251664) is ethyl 2-(2-cyanophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2-cyanophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2-cyanophenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1ccccc1C#N.
What is the InChIKey of ethyl 2-(2-cyanophenyl)-2-hydroxyacetate?
The InChIKey is LPDQDGLXSCPWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-15-11(14)10(13)9-6-4-3-5-8(9)7-12/h3-6,10,13H,2H2,1H3.
What are the key properties of ethyl 2-(2-cyanophenyl)-2-hydroxyacetate?
ethyl 2-(2-cyanophenyl)-2-hydroxyacetate has a molecular weight of 205.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyanophenyl)-2-hydroxyacetate is sourced from PubChem (CID 75251664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).