2,5-Bis(methoxycarbonyl)-3,4-diphenylcyclopentadienone
dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate
Molecular Identity
2,5-Bis(methoxycarbonyl)-3,4-diphenylcyclopentadienone
dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylate
PubChem CID: 2825971
2D Structure
Properties
C21H16O5
Molecular Formula
348.30
Molecular Weight
g/mol
348.0998
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
69.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
602
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C1=C(C(=C(C1=O)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3Isomeric SMILES
SMILES: COC(=O)C1=C(C(=C(C1=O)C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3Synonyms(20)
16691-79-52,5-Bis(methoxycarbonyl)-3,4-diphenylcyclopentadienoneDTXSID90385070RefChem:247135DTXCID00336093dimethyl 2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylateMFCD001110953,5-Cyclopentadiene-1,3-dicarboxylic acid, 2-oxo-4,5-diphenyl-, dimethyl ester2-oxo-4,5-diphenylcyclopenta-3,5-diene-1,3-dicarboxylic acid dimethyl esterNTXFYWYVVGMAGT-UHFFFAOYSA-NMaybridge3_0046251,3-dimethyl 2-oxo-4,5-diphenylcyclopenta-1(5),3-diene-1,3-dicarboxylateOprea1_018179SCHEMBL11720920HMS1444C05
Data from PubChem (NCBI)
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Molecular Structure
2,5-Bis(methoxycarbonyl)-3,4-diphenylcyclopentadienone
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Drug Network
Trials and conditions connected to 2,5-Bis(methoxycarbonyl)-3,4-diphenylcyclopentadienone
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