5-ethoxy-1-benzofuran-2-carbaldehyde

C11H10O3 — CID 10559567

IUPAC5-ethoxy-1-benzofuran-2-carbaldehyde
SMILESCCOc1ccc2oc(C=O)cc2c1
InChIInChI=1S/C11H10O3/c1-2-13-9-3-4-11-8(5-9)6-10(7-12)14-11/h3-7H,2H2,1H3
InChIKeySAJABRLNCLMVRF-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.64
Rot. Bonds3

About 5-ethoxy-1-benzofuran-2-carbaldehyde

5-ethoxy-1-benzofuran-2-carbaldehyde (PubChem CID 10559567) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-ethoxy-1-benzofuran-2-carbaldehyde.

Molecular Properties

Compound Name5-ethoxy-1-benzofuran-2-carbaldehyde
PubChem CID10559567
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name5-ethoxy-1-benzofuran-2-carbaldehyde
SMILESCCOc1ccc2oc(C=O)cc2c1
InChIInChI=1S/C11H10O3/c1-2-13-9-3-4-11-8(5-9)6-10(7-12)14-11/h3-7H,2H2,1H3
InChIKeySAJABRLNCLMVRF-UHFFFAOYSA-N
XLogP2.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.64
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-ethoxy-1-benzofuran-2-carbaldehyde?
The IUPAC name of 5-ethoxy-1-benzofuran-2-carbaldehyde (CID 10559567) is 5-ethoxy-1-benzofuran-2-carbaldehyde.
What is the SMILES notation for 5-ethoxy-1-benzofuran-2-carbaldehyde?
The canonical SMILES for 5-ethoxy-1-benzofuran-2-carbaldehyde is CCOc1ccc2oc(C=O)cc2c1.
What is the InChIKey of 5-ethoxy-1-benzofuran-2-carbaldehyde?
The InChIKey is SAJABRLNCLMVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-13-9-3-4-11-8(5-9)6-10(7-12)14-11/h3-7H,2H2,1H3.
What are the key properties of 5-ethoxy-1-benzofuran-2-carbaldehyde?
5-ethoxy-1-benzofuran-2-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-benzofuran-2-carbaldehyde is sourced from PubChem (CID 10559567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).