(2-phenylacetyl) 2-phenylacetate;pyridine

C21H19NO3 — CID 88818246

IUPAC(2-phenylacetyl) 2-phenylacetate;pyridine
SMILESO=C(Cc1ccccc1)OC(=O)Cc1ccccc1.c1ccncc1
InChIInChI=1S/C16H14O3.C5H5N/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14;1-2-4-6-5-3-1/h1-10H,11-12H2;1-5H
InChIKeyYMXPJJNRCZYMFQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.62
Rot. Bonds4

About (2-phenylacetyl) 2-phenylacetate;pyridine

(2-phenylacetyl) 2-phenylacetate;pyridine (PubChem CID 88818246) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2-phenylacetyl) 2-phenylacetate;pyridine.

Molecular Properties

Compound Name(2-phenylacetyl) 2-phenylacetate;pyridine
PubChem CID88818246
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(2-phenylacetyl) 2-phenylacetate;pyridine
SMILESO=C(Cc1ccccc1)OC(=O)Cc1ccccc1.c1ccncc1
InChIInChI=1S/C16H14O3.C5H5N/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14;1-2-4-6-5-3-1/h1-10H,11-12H2;1-5H
InChIKeyYMXPJJNRCZYMFQ-UHFFFAOYSA-N
XLogP3.62
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-phenylacetate;pyridine
CID 22282999
(2-phenylacetyl) propanoate
CID 91029268
2-phenylacetamide;pyridine
CID 22283001
(2-phenylacetyl) butanoate
CID 54432060
CID 174393592
CID 174393592
(2-phenylacetyl) 2-cyanoacetate
CID 162512622
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
tris(2-phenylacetyl) ethane-1,1,1-tricarboxylate
CID 173141327
(4-amino-4-oxobut-1-en-2-yl) 2-phenylacetate
CID 175301597
bis(2-phenylacetyl) 2-chloro-2-methylpropanedioate
CID 173141166
CID 172801156
CID 172801156
2-hydroxy-2-[2-oxo-2-(2-phenylacetyl)oxyethyl]butanedioic acid
CID 91125922

Frequently Asked Questions

What is the IUPAC name of (2-phenylacetyl) 2-phenylacetate;pyridine?
The IUPAC name of (2-phenylacetyl) 2-phenylacetate;pyridine (CID 88818246) is (2-phenylacetyl) 2-phenylacetate;pyridine.
What is the SMILES notation for (2-phenylacetyl) 2-phenylacetate;pyridine?
The canonical SMILES for (2-phenylacetyl) 2-phenylacetate;pyridine is O=C(Cc1ccccc1)OC(=O)Cc1ccccc1.c1ccncc1.
What is the InChIKey of (2-phenylacetyl) 2-phenylacetate;pyridine?
The InChIKey is YMXPJJNRCZYMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3.C5H5N/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14;1-2-4-6-5-3-1/h1-10H,11-12H2;1-5H.
What are the key properties of (2-phenylacetyl) 2-phenylacetate;pyridine?
(2-phenylacetyl) 2-phenylacetate;pyridine has a molecular weight of 333.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylacetyl) 2-phenylacetate;pyridine is sourced from PubChem (CID 88818246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).