5-(2-ethoxyphenyl)furan-2-carbaldehyde

C13H12O3 — CID 45050944

IUPAC5-(2-ethoxyphenyl)furan-2-carbaldehyde
SMILESCCOc1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C13H12O3/c1-2-15-12-6-4-3-5-11(12)13-8-7-10(9-14)16-13/h3-9H,2H2,1H3
InChIKeyRFVPUMSXKRRFNK-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.16
Rot. Bonds4

About 5-(2-ethoxyphenyl)furan-2-carbaldehyde

5-(2-ethoxyphenyl)furan-2-carbaldehyde (PubChem CID 45050944) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)furan-2-carbaldehyde
PubChem CID45050944
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-(2-ethoxyphenyl)furan-2-carbaldehyde
SMILESCCOc1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C13H12O3/c1-2-15-12-6-4-3-5-11(12)13-8-7-10(9-14)16-13/h3-9H,2H2,1H3
InChIKeyRFVPUMSXKRRFNK-UHFFFAOYSA-N
XLogP3.16
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-ethoxyphenyl)furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-ethoxyphenyl)furan-2-carbaldehyde (CID 45050944) is 5-(2-ethoxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-ethoxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-ethoxyphenyl)furan-2-carbaldehyde is CCOc1ccccc1-c1ccc(C=O)o1.
What is the InChIKey of 5-(2-ethoxyphenyl)furan-2-carbaldehyde?
The InChIKey is RFVPUMSXKRRFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-2-15-12-6-4-3-5-11(12)13-8-7-10(9-14)16-13/h3-9H,2H2,1H3.
What are the key properties of 5-(2-ethoxyphenyl)furan-2-carbaldehyde?
5-(2-ethoxyphenyl)furan-2-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 45050944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).