(4-benzoylphenyl) 2-pyridin-4-yloxyacetate

C20H15NO4 — CID 23732050

IUPAC(4-benzoylphenyl) 2-pyridin-4-yloxyacetate
SMILESO=C(COc1ccncc1)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15NO4/c22-19(14-24-17-10-12-21-13-11-17)25-18-8-6-16(7-9-18)20(23)15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyIDJKLNAJWXSESX-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.30
Rot. Bonds6

About (4-benzoylphenyl) 2-pyridin-4-yloxyacetate

(4-benzoylphenyl) 2-pyridin-4-yloxyacetate (PubChem CID 23732050) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is (4-benzoylphenyl) 2-pyridin-4-yloxyacetate.

Molecular Properties

Compound Name(4-benzoylphenyl) 2-pyridin-4-yloxyacetate
PubChem CID23732050
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name(4-benzoylphenyl) 2-pyridin-4-yloxyacetate
SMILESO=C(COc1ccncc1)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15NO4/c22-19(14-24-17-10-12-21-13-11-17)25-18-8-6-16(7-9-18)20(23)15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyIDJKLNAJWXSESX-UHFFFAOYSA-N
XLogP3.30
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-(4-benzoylphenoxy)acetyl]oxybenzoate
CID 8001541
(4-benzoylphenyl) 2-[4-(4-methylphenoxy)phenoxy]acetate
CID 23828217
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
(4-benzoylphenyl) 2-(4-nitrophenoxy)acetate
CID 1069094
(3,4-difluorophenyl) 2-(4-benzoylphenoxy)acetate
CID 8751820
[4-(1,3-dithiolan-2-yl)phenyl] 2-(4-benzoylphenoxy)acetate
CID 18228432
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
(4-benzoylphenyl) 2-aminoacetate
CID 174837870
(4-benzoylphenyl) 2-(2-tert-butylphenoxy)acetate
CID 43910968
cyanomethyl 2-(4-benzoylphenoxy)acetate
CID 2596653
CID 157442056
CID 157442056

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 2-pyridin-4-yloxyacetate?
The IUPAC name of (4-benzoylphenyl) 2-pyridin-4-yloxyacetate (CID 23732050) is (4-benzoylphenyl) 2-pyridin-4-yloxyacetate.
What is the SMILES notation for (4-benzoylphenyl) 2-pyridin-4-yloxyacetate?
The canonical SMILES for (4-benzoylphenyl) 2-pyridin-4-yloxyacetate is O=C(COc1ccncc1)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl) 2-pyridin-4-yloxyacetate?
The InChIKey is IDJKLNAJWXSESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-19(14-24-17-10-12-21-13-11-17)25-18-8-6-16(7-9-18)20(23)15-4-2-1-3-5-15/h1-13H,14H2.
What are the key properties of (4-benzoylphenyl) 2-pyridin-4-yloxyacetate?
(4-benzoylphenyl) 2-pyridin-4-yloxyacetate has a molecular weight of 333.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 2-pyridin-4-yloxyacetate is sourced from PubChem (CID 23732050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).