(E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one

C22H20O4S — CID 22025565

IUPAC(E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
SMILESCOc1ccc(-c2cccs2)cc1/C=C/C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C22H20O4S/c1-24-18-12-10-16(21-8-5-13-27-21)14-15(18)9-11-17(23)22-19(25-2)6-4-7-20(22)26-3/h4-14H,1-3H3/b11-9+
InChIKeyQXKVGMZWPVOYMK-PKNBQFBNSA-N
MW380.47 g/mol
LogP5.34
Rot. Bonds7

About (E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one

(E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one (PubChem CID 22025565) has the molecular formula C22H20O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is (E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
PubChem CID22025565
Molecular FormulaC22H20O4S
Molecular Weight380.47 g/mol
Exact Mass380.11
IUPAC Name(E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one
SMILESCOc1ccc(-c2cccs2)cc1/C=C/C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C22H20O4S/c1-24-18-12-10-16(21-8-5-13-27-21)14-15(18)9-11-17(23)22-19(25-2)6-4-7-20(22)26-3/h4-14H,1-3H3/b11-9+
InChIKeyQXKVGMZWPVOYMK-PKNBQFBNSA-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-(2,6-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

Related Compounds

4-[3-(3-Acetylthiophen-2-yl)phenyl]-5,7-dimethoxychromen-2-one
CID 6540239
4-[3-(5-benzo[b]thiophen-2-yl-2,4-dimethoxy-phenyl)-E-acryloyl]-benzoic acid
CID 9933150
4-{3E-[2,4-Dimethoxy-5-(5-methyl-thiophen-2-yl)-phenyl]-acryloyl}-benzoic acid
CID 10309804
4-[2-Acetyl-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
CID 11796594
{4-[(E)-3-(5-Benzo[b]thiophen-2-yl-2,4-dimethoxy-phenyl)-acryloyl]-phenylsulfanyl}-acetic acid
CID 21041603
(5-Phenylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 44576897
(E)-1-(6-methoxy-1,3-benzoxathiol-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 50902232
(E)-1-(6-methoxy-1,3-benzoxathiol-5-yl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 50902234
(5-Phenylthiophen-3-yl)(3,4,5-trimethoxyphenyl)methanone
CID 53364124
5-Hydroxy-2-(2-thiophen-2-ylethyl)chromen-4-one
CID 76325517
2-(benzylsulfanyl)-7-methoxy-3-phenyl-4H-chromen-4-one
CID 12137521
(Z)-6-methoxy-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one
CID 940040

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one (CID 22025565) is (E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one is COc1ccc(-c2cccs2)cc1/C=C/C(=O)c1c(OC)cccc1OC.
What is the InChIKey of (E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
The InChIKey is QXKVGMZWPVOYMK-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H20O4S/c1-24-18-12-10-16(21-8-5-13-27-21)14-15(18)9-11-17(23)22-19(25-2)6-4-7-20(22)26-3/h4-14H,1-3H3/b11-9+.
What are the key properties of (E)-1-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one?
(E)-1-(2,6-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-(2,6-dimethoxyphenyl)-3-(2-methoxy-5-thiophen-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 22025565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).