3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene

C24H24O5S — CID 15358081

IUPAC3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene
SMILESCOc1ccc(C2=Cc3cc(OC)c(OC)cc3C(C)(c3cccs3)O2)cc1OC
InChIInChI=1S/C24H24O5S/c1-24(23-7-6-10-30-23)17-14-22(28-5)21(27-4)13-16(17)12-19(29-24)15-8-9-18(25-2)20(11-15)26-3/h6-14H,1-5H3
InChIKeyJOCXUJHGGSZROL-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.57
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene

3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene (PubChem CID 15358081) has the molecular formula C24H24O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene
PubChem CID15358081
Molecular FormulaC24H24O5S
Molecular Weight424.52 g/mol
Exact Mass424.13
IUPAC Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene
SMILESCOc1ccc(C2=Cc3cc(OC)c(OC)cc3C(C)(c3cccs3)O2)cc1OC
InChIInChI=1S/C24H24O5S/c1-24(23-7-6-10-30-23)17-14-22(28-5)21(27-4)13-16(17)12-19(29-24)15-8-9-18(25-2)20(11-15)26-3/h6-14H,1-5H3
InChIKeyJOCXUJHGGSZROL-UHFFFAOYSA-N
XLogP5.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene 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

3-(3,4-diethoxyphenyl)-6,7-dimethoxy-1-methyl-1-phenylisochromene
CID 132779363
6,7-dimethoxy-3-(4-methoxyphenyl)-1-methyl-1-phenylisochromene
CID 132765787
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-propylisochromene-1-carbonitrile
CID 132765956
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1-methyl-1-thiophen-2-yl-2-benzofuran
CID 102593163
1-ethyl-6,7-dimethoxy-1-methyl-3-(4-propoxyphenyl)isochromene
CID 132777790
5,6-dimethoxy-1,1,2-trimethylindene
CID 23377407
5-(3-isocyano-4-methoxyphenyl)-2,2-dimethylfuran-3-one
CID 59354800
5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 5308138
3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 55480925
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
N-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 17394205
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene (CID 15358081) is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene is COc1ccc(C2=Cc3cc(OC)c(OC)cc3C(C)(c3cccs3)O2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene?
The InChIKey is JOCXUJHGGSZROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5S/c1-24(23-7-6-10-30-23)17-14-22(28-5)21(27-4)13-16(17)12-19(29-24)15-8-9-18(25-2)20(11-15)26-3/h6-14H,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene?
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene has a molecular weight of 424.52 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-1-thiophen-2-ylisochromene is sourced from PubChem (CID 15358081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).