ethyl 2-oxo-2-(3-phenylphenyl)acetate

C16H14O3 — CID 42639767

IUPACethyl 2-oxo-2-(3-phenylphenyl)acetate
SMILESCCOC(=O)C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H14O3/c1-2-19-16(18)15(17)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyXSCFGRSGFSQSEX-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.10
Rot. Bonds4

About ethyl 2-oxo-2-(3-phenylphenyl)acetate

ethyl 2-oxo-2-(3-phenylphenyl)acetate (PubChem CID 42639767) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethyl 2-oxo-2-(3-phenylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(3-phenylphenyl)acetate
PubChem CID42639767
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Nameethyl 2-oxo-2-(3-phenylphenyl)acetate
SMILESCCOC(=O)C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H14O3/c1-2-19-16(18)15(17)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3
InChIKeyXSCFGRSGFSQSEX-UHFFFAOYSA-N
XLogP3.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-2-phenylacetate
CID 15349
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-(2-chloro-4-phenylphenyl)-2-oxoacetate
CID 20515168
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 2-[3-(methoxymethyl)phenyl]-2-oxoacetate
CID 117317819
ethyl 2-[3-(1-fluoroethyl)phenyl]-2-oxoacetate
CID 117321599
ethyl 2-[3-(carbamoylamino)phenyl]-2-oxoacetate
CID 117344331
ethyl 2-[3-(2-hydroxy-2-methylpropyl)phenyl]-2-oxoacetate
CID 117108883
ethyl 2-[3-(2,2-difluoroethyl)phenyl]-2-oxoacetate
CID 117357101
ethyl 4-azulen-2-ylbenzoate
CID 122206706
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-(4-methyl-3-phenylmethoxyphenyl)-2-oxoacetate
CID 117480834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(3-phenylphenyl)acetate?
The IUPAC name of ethyl 2-oxo-2-(3-phenylphenyl)acetate (CID 42639767) is ethyl 2-oxo-2-(3-phenylphenyl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(3-phenylphenyl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(3-phenylphenyl)acetate is CCOC(=O)C(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of ethyl 2-oxo-2-(3-phenylphenyl)acetate?
The InChIKey is XSCFGRSGFSQSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-2-19-16(18)15(17)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-oxo-2-(3-phenylphenyl)acetate?
ethyl 2-oxo-2-(3-phenylphenyl)acetate has a molecular weight of 254.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(3-phenylphenyl)acetate is sourced from PubChem (CID 42639767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).