1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione

C24H20O2 — CID 102162472

IUPAC1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione
SMILESC/C=C(\c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H20O2/c1-2-21(18-12-6-3-7-13-18)22(23(25)19-14-8-4-9-15-19)24(26)20-16-10-5-11-17-20/h2-17,22H,1H3/b21-2+
InChIKeyOCJOEIGPRACIFQ-WKOHNKLBSA-N
MW340.42 g/mol
LogP5.47
Rot. Bonds6

About 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione

1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione (PubChem CID 102162472) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione.

Molecular Properties

Compound Name1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione
PubChem CID102162472
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione
SMILESC/C=C(\c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H20O2/c1-2-21(18-12-6-3-7-13-18)22(23(25)19-14-8-4-9-15-19)24(26)20-16-10-5-11-17-20/h2-17,22H,1H3/b21-2+
InChIKeyOCJOEIGPRACIFQ-WKOHNKLBSA-N
XLogP5.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-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

4-benzoylheptane-3,5-dione
CID 107431218
methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate
CID 15153385
(E,2S)-2-methyl-1-phenylpent-3-en-1-one
CID 129364114
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619
(E,1R)-1,2-diphenylbut-2-en-1-ol
CID 135000774
(2R)-3-imino-2-methyl-1-phenylpropan-1-one
CID 7157390
(E)-2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
CID 175303406
2-benzoyl-1,5-diphenylpent-4-ene-1,3-dione
CID 164898898
[(E)-4-methylhex-2-en-3-yl]benzene
CID 12531537
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
acetaldehyde;benzoic acid
CID 142179743

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione?
The IUPAC name of 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione (CID 102162472) is 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione.
What is the SMILES notation for 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione?
The canonical SMILES for 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione is C/C=C(\c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione?
The InChIKey is OCJOEIGPRACIFQ-WKOHNKLBSA-N. The full InChI is InChI=1S/C24H20O2/c1-2-21(18-12-6-3-7-13-18)22(23(25)19-14-8-4-9-15-19)24(26)20-16-10-5-11-17-20/h2-17,22H,1H3/b21-2+.
What are the key properties of 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione?
1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione has a molecular weight of 340.42 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2-[(Z)-1-phenylprop-1-enyl]propane-1,3-dione is sourced from PubChem (CID 102162472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).