2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde

C18H10O3S — CID 15310182

IUPAC2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2oc(C(=O)c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C18H10O3S/c19-10-11-5-6-14-13(7-11)8-15(21-14)18(20)17-9-12-3-1-2-4-16(12)22-17/h1-10H
InChIKeyBXEXTCHQJCWZAG-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.69
Rot. Bonds3

About 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde

2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde (PubChem CID 15310182) has the molecular formula C18H10O3S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde
PubChem CID15310182
Molecular FormulaC18H10O3S
Molecular Weight306.34 g/mol
Exact Mass306.04
IUPAC Name2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2oc(C(=O)c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C18H10O3S/c19-10-11-5-6-14-13(7-11)8-15(21-14)18(20)17-9-12-3-1-2-4-16(12)22-17/h1-10H
InChIKeyBXEXTCHQJCWZAG-UHFFFAOYSA-N
XLogP4.69
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone
CID 105131462
2-(pyridine-2-carbonyl)-1-benzofuran-5-carbaldehyde
CID 15310183
bis(1-benzothiophen-2-yl)methanone
CID 5330534
2-(3,4,5-trihydroxybenzoyl)-1-benzofuran-5-carbaldehyde
CID 171662158
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
(5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 115808833
tert-butyl 5-formyl-1-benzothiophene-2-carboxylate
CID 168980989
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
methyl 6-formyl-1-benzothiophene-2-carboxylate
CID 22012604
1-benzothiophen-2-yl(furan-3-yl)methanone
CID 71739499
1-benzofuran-2,5-dicarbaldehyde
CID 18349269

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde?
The IUPAC name of 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde (CID 15310182) is 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde is O=Cc1ccc2oc(C(=O)c3cc4ccccc4s3)cc2c1.
What is the InChIKey of 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde?
The InChIKey is BXEXTCHQJCWZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O3S/c19-10-11-5-6-14-13(7-11)8-15(21-14)18(20)17-9-12-3-1-2-4-16(12)22-17/h1-10H.
What are the key properties of 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde?
2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde has a molecular weight of 306.34 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 15310182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).