8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione

C19H14O6S — CID 14988611

IUPAC8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione
SMILESCOc1ccc(-c2c3c(c(OC)c4ccsc24)C(=O)OC3=O)cc1OC
InChIInChI=1S/C19H14O6S/c1-22-11-5-4-9(8-12(11)23-2)13-14-15(19(21)25-18(14)20)16(24-3)10-6-7-26-17(10)13/h4-8H,1-3H3
InChIKeyJTFCVHURPUUJJH-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.90
Rot. Bonds4

About 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione

8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione (PubChem CID 14988611) has the molecular formula C19H14O6S and a molecular weight of 370.38 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione
PubChem CID14988611
Molecular FormulaC19H14O6S
Molecular Weight370.38 g/mol
Exact Mass370.05
IUPAC Name8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione
SMILESCOc1ccc(-c2c3c(c(OC)c4ccsc24)C(=O)OC3=O)cc1OC
InChIInChI=1S/C19H14O6S/c1-22-11-5-4-9(8-12(11)23-2)13-14-15(19(21)25-18(14)20)16(24-3)10-6-7-26-17(10)13/h4-8H,1-3H3
InChIKeyJTFCVHURPUUJJH-UHFFFAOYSA-N
XLogP3.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethoxyphenyl)-9-methoxy-[1]benzofuro[5,6-f][1,3]benzodioxol-8-one
CID 162850692
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
4,7-dimethoxy-1-benzothiophene
CID 11095506
3,4-bis(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 122205259
2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one
CID 12710979
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
6-methoxythieno[2,3-h]chromen-2-one
CID 14235198
2-(3,4-dimethoxyphenyl)-4-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4516440
9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 10500931
2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione (CID 14988611) is 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione is COc1ccc(-c2c3c(c(OC)c4ccsc24)C(=O)OC3=O)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione?
The InChIKey is JTFCVHURPUUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O6S/c1-22-11-5-4-9(8-12(11)23-2)13-14-15(19(21)25-18(14)20)16(24-3)10-6-7-26-17(10)13/h4-8H,1-3H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione?
8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione has a molecular weight of 370.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-4-methoxythieno[2,3-f][2]benzofuran-5,7-dione is sourced from PubChem (CID 14988611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).