5-methoxy-1-benzofuran-3-carbaldehyde

C10H8O3 — CID 25131833

IUPAC5-methoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc2occ(C=O)c2c1
InChIInChI=1S/C10H8O3/c1-12-8-2-3-10-9(4-8)7(5-11)6-13-10/h2-6H,1H3
InChIKeyCQHIEQIPGGRHID-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.25
Rot. Bonds2

About 5-methoxy-1-benzofuran-3-carbaldehyde

5-methoxy-1-benzofuran-3-carbaldehyde (PubChem CID 25131833) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-methoxy-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-1-benzofuran-3-carbaldehyde
PubChem CID25131833
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name5-methoxy-1-benzofuran-3-carbaldehyde
SMILESCOc1ccc2occ(C=O)c2c1
InChIInChI=1S/C10H8O3/c1-12-8-2-3-10-9(4-8)7(5-11)6-13-10/h2-6H,1H3
InChIKeyCQHIEQIPGGRHID-UHFFFAOYSA-N
XLogP2.25
TPSA39.44 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 ≤ 52.25
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 5-methoxy-1-benzofuran-3-carbaldehyde?
The IUPAC name of 5-methoxy-1-benzofuran-3-carbaldehyde (CID 25131833) is 5-methoxy-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 5-methoxy-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 5-methoxy-1-benzofuran-3-carbaldehyde is COc1ccc2occ(C=O)c2c1.
What is the InChIKey of 5-methoxy-1-benzofuran-3-carbaldehyde?
The InChIKey is CQHIEQIPGGRHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-12-8-2-3-10-9(4-8)7(5-11)6-13-10/h2-6H,1H3.
What are the key properties of 5-methoxy-1-benzofuran-3-carbaldehyde?
5-methoxy-1-benzofuran-3-carbaldehyde has a molecular weight of 176.17 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 25131833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).