phenyl 2-oxo-3-phenylpropanoate

C15H12O3 — CID 57172801

IUPACphenyl 2-oxo-3-phenylpropanoate
SMILESO=C(Cc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H12O3/c16-14(11-12-7-3-1-4-8-12)15(17)18-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyOUHUHUXZNNECRY-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.40
Rot. Bonds4

About phenyl 2-oxo-3-phenylpropanoate

phenyl 2-oxo-3-phenylpropanoate (PubChem CID 57172801) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is phenyl 2-oxo-3-phenylpropanoate.

Molecular Properties

Compound Namephenyl 2-oxo-3-phenylpropanoate
PubChem CID57172801
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Namephenyl 2-oxo-3-phenylpropanoate
SMILESO=C(Cc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C15H12O3/c16-14(11-12-7-3-1-4-8-12)15(17)18-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyOUHUHUXZNNECRY-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-diazo-3-phenylpropanoate
CID 175187797
phenyl 2-phenylacetate;zinc
CID 70522084
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
nitro 2-oxo-3-phenylpropanoate
CID 54202175
diphenyl oxalate;ethane
CID 162013592
phenyl 2-oxopent-4-enoate
CID 68552503
3-[3-[3-(2-nitrophenyl)-2-oxopropanoyl]oxyphenyl]-2-oxopropanoic acid
CID 126734338
phenyl 2-methyl-4-phenylbut-2-enoate
CID 174690725
lithium 2-phenylacetate
CID 19205773
butanoic acid;phenyl 2-phenylacetate
CID 68544995
pentyl 2-oxo-3-phenylpropanoate
CID 22404239
phenyl 2-phenoxyprop-2-enoate
CID 141223374

Frequently Asked Questions

What is the IUPAC name of phenyl 2-oxo-3-phenylpropanoate?
The IUPAC name of phenyl 2-oxo-3-phenylpropanoate (CID 57172801) is phenyl 2-oxo-3-phenylpropanoate.
What is the SMILES notation for phenyl 2-oxo-3-phenylpropanoate?
The canonical SMILES for phenyl 2-oxo-3-phenylpropanoate is O=C(Cc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-oxo-3-phenylpropanoate?
The InChIKey is OUHUHUXZNNECRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-14(11-12-7-3-1-4-8-12)15(17)18-13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of phenyl 2-oxo-3-phenylpropanoate?
phenyl 2-oxo-3-phenylpropanoate has a molecular weight of 240.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-oxo-3-phenylpropanoate is sourced from PubChem (CID 57172801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).