1-(2-phenacylphenyl)ethenolate

C16H13O2- — CID 134860300

IUPAC1-(2-phenacylphenyl)ethenolate
SMILESC=C([O-])c1ccccc1CC(=O)c1ccccc1
InChIInChI=1S/C16H14O2/c1-12(17)15-10-6-5-9-14(15)11-16(18)13-7-3-2-4-8-13/h2-10,17H,1,11H2/p-1
InChIKeyPUVKFTULPYCCFP-UHFFFAOYSA-M
MW237.28 g/mol
LogP2.44
Rot. Bonds4

About 1-(2-phenacylphenyl)ethenolate

1-(2-phenacylphenyl)ethenolate (PubChem CID 134860300) has the molecular formula C16H13O2- and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-(2-phenacylphenyl)ethenolate.

Molecular Properties

Compound Name1-(2-phenacylphenyl)ethenolate
PubChem CID134860300
Molecular FormulaC16H13O2-
Molecular Weight237.28 g/mol
Exact Mass237.09
IUPAC Name1-(2-phenacylphenyl)ethenolate
SMILESC=C([O-])c1ccccc1CC(=O)c1ccccc1
InChIInChI=1S/C16H14O2/c1-12(17)15-10-6-5-9-14(15)11-16(18)13-7-3-2-4-8-13/h2-10,17H,1,11H2/p-1
InChIKeyPUVKFTULPYCCFP-UHFFFAOYSA-M
XLogP2.44
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-(2-phenacylphenyl)-2-phenylethanone
CID 69188181
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
chromium(2+);tris(3-oxo-3-phenylpropanoate)
CID 20833080
silver 3-oxo-3-phenylpropanoate
CID 86633512
2-(2,4-dinitro-5-phenacylphenyl)-1-phenylethanone
CID 2748910
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
CID 10729737
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenacylphenyl)ethenolate?
The IUPAC name of 1-(2-phenacylphenyl)ethenolate (CID 134860300) is 1-(2-phenacylphenyl)ethenolate.
What is the SMILES notation for 1-(2-phenacylphenyl)ethenolate?
The canonical SMILES for 1-(2-phenacylphenyl)ethenolate is C=C([O-])c1ccccc1CC(=O)c1ccccc1.
What is the InChIKey of 1-(2-phenacylphenyl)ethenolate?
The InChIKey is PUVKFTULPYCCFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14O2/c1-12(17)15-10-6-5-9-14(15)11-16(18)13-7-3-2-4-8-13/h2-10,17H,1,11H2/p-1.
What are the key properties of 1-(2-phenacylphenyl)ethenolate?
1-(2-phenacylphenyl)ethenolate has a molecular weight of 237.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenacylphenyl)ethenolate is sourced from PubChem (CID 134860300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).