(E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione

C24H20O3 — CID 23651793

IUPAC(E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione
SMILESCCO/C(C(=O)c1ccccc1)=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O3/c1-2-27-24(23(26)20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)22(25)19-14-8-4-9-15-19/h3-17H,2H2,1H3/b24-21+
InChIKeyAWUJGBIYPNQVMZ-DARPEHSRSA-N
MW356.42 g/mol
LogP5.20
Rot. Bonds7

About (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione

(E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione (PubChem CID 23651793) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione.

Molecular Properties

Compound Name(E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione
PubChem CID23651793
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name(E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione
SMILESCCO/C(C(=O)c1ccccc1)=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20O3/c1-2-27-24(23(26)20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)22(25)19-14-8-4-9-15-19/h3-17H,2H2,1H3/b24-21+
InChIKeyAWUJGBIYPNQVMZ-DARPEHSRSA-N
XLogP5.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione 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

ethyl 2-oxo-2-phenylacetate
CID 15349
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
3,3-diethoxy-2-phenylprop-2-enoic acid
CID 129094256
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl 2,3-diphenylbut-2-enoate
CID 175493323
ethyl 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
ethyl N-hydroxy-2-oxo-2-phenylethanimidate
CID 163663046
1-O-ethyl 4-O-formyl (Z)-2-ethoxy-3-phenylbut-2-enedioate
CID 87707607
CID 158970570
CID 158970570
ethyl N-[(1-oxo-1-phenylpropan-2-ylidene)amino]carbamate
CID 5085967
ethyl (E)-4-oxo-4-phenyl-3-trimethylsilylbut-2-enoate
CID 101412880
ethyl 2-benzoyl-3-ethoxybut-2-enoate
CID 54223445

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione?
The IUPAC name of (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione (CID 23651793) is (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione.
What is the SMILES notation for (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione?
The canonical SMILES for (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione is CCO/C(C(=O)c1ccccc1)=C(/C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione?
The InChIKey is AWUJGBIYPNQVMZ-DARPEHSRSA-N. The full InChI is InChI=1S/C24H20O3/c1-2-27-24(23(26)20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)22(25)19-14-8-4-9-15-19/h3-17H,2H2,1H3/b24-21+.
What are the key properties of (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione?
(E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione has a molecular weight of 356.42 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethoxy-1,3,4-triphenylbut-2-ene-1,4-dione is sourced from PubChem (CID 23651793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).