1-(3,4-diethoxyphenyl)pent-4-en-1-one

C15H20O3 — CID 114974982

IUPAC1-(3,4-diethoxyphenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H20O3/c1-4-7-8-13(16)12-9-10-14(17-5-2)15(11-12)18-6-3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyHXJMVUXUFSUSEB-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.63
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)pent-4-en-1-one

1-(3,4-diethoxyphenyl)pent-4-en-1-one (PubChem CID 114974982) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)pent-4-en-1-one
PubChem CID114974982
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(3,4-diethoxyphenyl)pent-4-en-1-one
SMILESC=CCCC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H20O3/c1-4-7-8-13(16)12-9-10-14(17-5-2)15(11-12)18-6-3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyHXJMVUXUFSUSEB-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-diethoxyphenyl)pent-4-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

1-(3-methoxy-4-methylphenyl)pent-4-en-1-one
CID 114974988
1-(3,4-diethoxyphenyl)prop-2-en-1-one
CID 114982504
1-(3-fluoro-4-methoxyphenyl)pent-4-en-1-one
CID 146006736
bis(3,4-diethoxyphenyl)methanone
CID 135325793
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
1-(3,4-diethoxyphenyl)-3,3-dimethylbutan-1-one
CID 43337636
1-(3,4-diethoxyphenyl)-2-(methylamino)ethanone
CID 116553831
1-(3,4-diethoxyphenyl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103147081
1-(4-chloro-3-methylphenyl)pent-4-en-1-one
CID 114974964
1-(4-butoxy-3-ethoxyphenyl)propan-1-one
CID 83952161
1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973274
1-(4-prop-1-en-2-ylphenyl)pent-4-en-1-one
CID 177043900

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)pent-4-en-1-one?
The IUPAC name of 1-(3,4-diethoxyphenyl)pent-4-en-1-one (CID 114974982) is 1-(3,4-diethoxyphenyl)pent-4-en-1-one.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)pent-4-en-1-one?
The canonical SMILES for 1-(3,4-diethoxyphenyl)pent-4-en-1-one is C=CCCC(=O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-(3,4-diethoxyphenyl)pent-4-en-1-one?
The InChIKey is HXJMVUXUFSUSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-7-8-13(16)12-9-10-14(17-5-2)15(11-12)18-6-3/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 1-(3,4-diethoxyphenyl)pent-4-en-1-one?
1-(3,4-diethoxyphenyl)pent-4-en-1-one has a molecular weight of 248.32 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)pent-4-en-1-one is sourced from PubChem (CID 114974982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).