2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione

C19H14O3 — CID 141295088

IUPAC2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione
SMILESO=C=C(CCc1ccccc1)C(=O)C(=C=O)c1ccccc1
InChIInChI=1S/C19H14O3/c20-13-17(12-11-15-7-3-1-4-8-15)19(22)18(14-21)16-9-5-2-6-10-16/h1-10H,11-12H2
InChIKeyASHOHVMNVJICQH-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.86
Rot. Bonds6

About 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione

2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione (PubChem CID 141295088) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione.

Molecular Properties

Compound Name2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione
PubChem CID141295088
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione
SMILESO=C=C(CCc1ccccc1)C(=O)C(=C=O)c1ccccc1
InChIInChI=1S/C19H14O3/c20-13-17(12-11-15-7-3-1-4-8-15)19(22)18(14-21)16-9-5-2-6-10-16/h1-10H,11-12H2
InChIKeyASHOHVMNVJICQH-UHFFFAOYSA-N
XLogP2.86
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione?
The IUPAC name of 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione (CID 141295088) is 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione.
What is the SMILES notation for 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione?
The canonical SMILES for 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione is O=C=C(CCc1ccccc1)C(=O)C(=C=O)c1ccccc1.
What is the InChIKey of 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione?
The InChIKey is ASHOHVMNVJICQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-13-17(12-11-15-7-3-1-4-8-15)19(22)18(14-21)16-9-5-2-6-10-16/h1-10H,11-12H2.
What are the key properties of 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione?
2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione has a molecular weight of 290.32 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-phenylethyl)penta-1,4-diene-1,3,5-trione is sourced from PubChem (CID 141295088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).