(2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate

C18H16O3 — CID 174724665

IUPAC(2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate
SMILESC=Cc1ccc(C(=O)C(=O)Oc2ccccc2CC)cc1
InChIInChI=1S/C18H16O3/c1-3-13-9-11-15(12-10-13)17(19)18(20)21-16-8-6-5-7-14(16)4-2/h3,5-12H,1,4H2,2H3
InChIKeyAUDZWKRHTIBZDT-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.68
Rot. Bonds5

About (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate

(2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate (PubChem CID 174724665) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate.

Molecular Properties

Compound Name(2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate
PubChem CID174724665
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate
SMILESC=Cc1ccc(C(=O)C(=O)Oc2ccccc2CC)cc1
InChIInChI=1S/C18H16O3/c1-3-13-9-11-15(12-10-13)17(19)18(20)21-16-8-6-5-7-14(16)4-2/h3,5-12H,1,4H2,2H3
InChIKeyAUDZWKRHTIBZDT-UHFFFAOYSA-N
XLogP3.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.68
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'}

Analyze (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylphenyl) 2-methylbut-2-enoate
CID 175294734
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
(2-methylphenyl) 4-ethenylbenzoate
CID 101047505
(2-ethylphenyl) methyl carbonate
CID 67179071
bis(2-ethylphenyl) 2,2-dimethylpropanedioate
CID 91723973
methyl 2-(4-ethenylphenyl)prop-2-enoate
CID 175494099
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190
N-(4-ethenylbenzoyl)-2-methoxybenzamide
CID 139609261
ethane;2-[1-(4-ethenylphenyl)ethenyl]-4,5-diethylaniline;propane
CID 154656160
1-ethenyl-2-ethylbenzene;methyl 2-methylprop-2-enoate
CID 174879691
carboxy (2-ethylphenyl) carbonate
CID 150563443
4-ethenylbenzoic acid;styrene
CID 22341601

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate?
The IUPAC name of (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate (CID 174724665) is (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate.
What is the SMILES notation for (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate?
The canonical SMILES for (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate is C=Cc1ccc(C(=O)C(=O)Oc2ccccc2CC)cc1.
What is the InChIKey of (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate?
The InChIKey is AUDZWKRHTIBZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-3-13-9-11-15(12-10-13)17(19)18(20)21-16-8-6-5-7-14(16)4-2/h3,5-12H,1,4H2,2H3.
What are the key properties of (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate?
(2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate has a molecular weight of 280.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate is sourced from PubChem (CID 174724665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).