(E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one

C22H20O4S — CID 22025571

IUPAC(E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)cc(C(=O)/C=C/c2cc(-c3cccs3)ccc2OC)c1
InChIInChI=1S/C22H20O4S/c1-24-18-12-17(13-19(14-18)25-2)20(23)8-6-15-11-16(7-9-21(15)26-3)22-5-4-10-27-22/h4-14H,1-3H3/b8-6+
InChIKeyIXYZZHFLAMAGCE-SOFGYWHQSA-N
MW380.47 g/mol
LogP5.34
Rot. Bonds7

About (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one

(E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one (PubChem CID 22025571) has the molecular formula C22H20O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
PubChem CID22025571
Molecular FormulaC22H20O4S
Molecular Weight380.47 g/mol
Exact Mass380.11
IUPAC Name(E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)cc(C(=O)/C=C/c2cc(-c3cccs3)ccc2OC)c1
InChIInChI=1S/C22H20O4S/c1-24-18-12-17(13-19(14-18)25-2)20(23)8-6-15-11-16(7-9-21(15)26-3)22-5-4-10-27-22/h4-14H,1-3H3/b8-6+
InChIKeyIXYZZHFLAMAGCE-SOFGYWHQSA-N
XLogP5.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-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

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one (CID 22025571) is (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one is COc1cc(OC)cc(C(=O)/C=C/c2cc(-c3cccs3)ccc2OC)c1.
What is the InChIKey of (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
The InChIKey is IXYZZHFLAMAGCE-SOFGYWHQSA-N. The full InChI is InChI=1S/C22H20O4S/c1-24-18-12-17(13-19(14-18)25-2)20(23)8-6-15-11-16(7-9-21(15)26-3)22-5-4-10-27-22/h4-14H,1-3H3/b8-6+.
What are the key properties of (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
(E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one has a molecular weight of 380.47 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,5-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 22025571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).