(E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one

C19H20O3 — CID 71723282

IUPAC(E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one
SMILESCO/C(=C/C(=O)c1ccccc1)CC(OC)c1ccccc1
InChIInChI=1S/C19H20O3/c1-21-17(13-18(20)15-9-5-3-6-10-15)14-19(22-2)16-11-7-4-8-12-16/h3-13,19H,14H2,1-2H3/b17-13+
InChIKeyXIYYBFUPRGPCSZ-GHRIWEEISA-N
MW296.37 g/mol
LogP4.18
Rot. Bonds7

About (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one

(E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one (PubChem CID 71723282) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one
PubChem CID71723282
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one
SMILESCO/C(=C/C(=O)c1ccccc1)CC(OC)c1ccccc1
InChIInChI=1S/C19H20O3/c1-21-17(13-18(20)15-9-5-3-6-10-15)14-19(22-2)16-11-7-4-8-12-16/h3-13,19H,14H2,1-2H3/b17-13+
InChIKeyXIYYBFUPRGPCSZ-GHRIWEEISA-N
XLogP4.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.18
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)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one 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

benzyl (E)-3,5-dimethoxy-5-phenylpent-2-enoate
CID 71723279
3-methoxy-3-phenylpropanoic acid
CID 13379217
ethane;methanamine;methyl 3-methoxy-3-phenylpropanoate
CID 143560170
ethyl (Z)-5-(4-bromophenyl)-3,5-dimethoxypent-2-enoate
CID 102109372
aniline;3-methoxy-N-methyl-3-phenylpropanamide
CID 172564255
(4Z)-4-benzylidene-6-methoxy-6-phenylhexan-3-one
CID 102304313
methyl (E)-2-methyl-4-oxo-4-phenylbut-2-enoate
CID 641404
methyl 2-amino-4-oxo-4-phenylbut-2-enoate
CID 85280020
[(2R)-2-methoxy-2-phenylethyl] [(2S)-2-methoxy-2-phenylethyl] carbonate
CID 102443903
(2R)-2-methoxy-2-phenylethanol
CID 6950345
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
1,2-dimethoxyethane;tris((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);terbium(3+)
CID 139143577

Frequently Asked Questions

What is the IUPAC name of (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one?
The IUPAC name of (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one (CID 71723282) is (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one.
What is the SMILES notation for (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one?
The canonical SMILES for (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one is CO/C(=C/C(=O)c1ccccc1)CC(OC)c1ccccc1.
What is the InChIKey of (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one?
The InChIKey is XIYYBFUPRGPCSZ-GHRIWEEISA-N. The full InChI is InChI=1S/C19H20O3/c1-21-17(13-18(20)15-9-5-3-6-10-15)14-19(22-2)16-11-7-4-8-12-16/h3-13,19H,14H2,1-2H3/b17-13+.
What are the key properties of (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one?
(E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one has a molecular weight of 296.37 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,5-dimethoxy-1,5-diphenylpent-2-en-1-one is sourced from PubChem (CID 71723282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).