1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde

C10H8O3 — CID 130026369

IUPAC1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde
SMILESO=Cc1cc2c(cc1C=O)COC2
InChIInChI=1S/C10H8O3/c11-3-7-1-9-5-13-6-10(9)2-8(7)4-12/h1-4H,5-6H2
InChIKeyXXRYURWLUZNEMP-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.34
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde

1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde (PubChem CID 130026369) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde
PubChem CID130026369
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde
SMILESO=Cc1cc2c(cc1C=O)COC2
InChIInChI=1S/C10H8O3/c11-3-7-1-9-5-13-6-10(9)2-8(7)4-12/h1-4H,5-6H2
InChIKeyXXRYURWLUZNEMP-UHFFFAOYSA-N
XLogP1.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde?
The IUPAC name of 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde (CID 130026369) is 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde is O=Cc1cc2c(cc1C=O)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde?
The InChIKey is XXRYURWLUZNEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-3-7-1-9-5-13-6-10(9)2-8(7)4-12/h1-4H,5-6H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde?
1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde has a molecular weight of 176.17 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde is sourced from PubChem (CID 130026369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).