cyanomethyl 2-(4-benzoylphenoxy)acetate

C17H13NO4 — CID 2596653

IUPACcyanomethyl 2-(4-benzoylphenoxy)acetate
SMILESN#CCOC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H13NO4/c18-10-11-21-16(19)12-22-15-8-6-14(7-9-15)17(20)13-4-2-1-3-5-13/h1-9H,11-12H2
InChIKeyWQHDUKDGJWFMGQ-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.36
Rot. Bonds6

About cyanomethyl 2-(4-benzoylphenoxy)acetate

cyanomethyl 2-(4-benzoylphenoxy)acetate (PubChem CID 2596653) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is cyanomethyl 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Namecyanomethyl 2-(4-benzoylphenoxy)acetate
PubChem CID2596653
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Namecyanomethyl 2-(4-benzoylphenoxy)acetate
SMILESN#CCOC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H13NO4/c18-10-11-21-16(19)12-22-15-8-6-14(7-9-15)17(20)13-4-2-1-3-5-13/h1-9H,11-12H2
InChIKeyWQHDUKDGJWFMGQ-UHFFFAOYSA-N
XLogP2.36
TPSA76.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyanomethyl 2-(4-benzoylphenoxy)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

[2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925466
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 16533251
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
[2-(4-chlorophenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925584
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
CID 157442056
CID 157442056
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590
(1-cyanoindolizin-2-yl)methyl 2-(4-benzoylphenoxy)acetate
CID 16582227
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
(4-benzoylphenyl) 2-pyridin-4-yloxyacetate
CID 23732050
(4-benzoylphenyl) 2-(4-nitrophenoxy)acetate
CID 1069094
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925475

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-(4-benzoylphenoxy)acetate?
The IUPAC name of cyanomethyl 2-(4-benzoylphenoxy)acetate (CID 2596653) is cyanomethyl 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for cyanomethyl 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for cyanomethyl 2-(4-benzoylphenoxy)acetate is N#CCOC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of cyanomethyl 2-(4-benzoylphenoxy)acetate?
The InChIKey is WQHDUKDGJWFMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c18-10-11-21-16(19)12-22-15-8-6-14(7-9-15)17(20)13-4-2-1-3-5-13/h1-9H,11-12H2.
What are the key properties of cyanomethyl 2-(4-benzoylphenoxy)acetate?
cyanomethyl 2-(4-benzoylphenoxy)acetate has a molecular weight of 295.29 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 2596653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).