3-(3,4-diethylphenyl)furan-2-carbaldehyde

C15H16O2 — CID 106888488

IUPAC3-(3,4-diethylphenyl)furan-2-carbaldehyde
SMILESCCc1ccc(-c2ccoc2C=O)cc1CC
InChIInChI=1S/C15H16O2/c1-3-11-5-6-13(9-12(11)4-2)14-7-8-17-15(14)10-16/h5-10H,3-4H2,1-2H3
InChIKeyUFKZLXOQVZEKNO-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.88
Rot. Bonds4

About 3-(3,4-diethylphenyl)furan-2-carbaldehyde

3-(3,4-diethylphenyl)furan-2-carbaldehyde (PubChem CID 106888488) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(3,4-diethylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(3,4-diethylphenyl)furan-2-carbaldehyde
PubChem CID106888488
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3-(3,4-diethylphenyl)furan-2-carbaldehyde
SMILESCCc1ccc(-c2ccoc2C=O)cc1CC
InChIInChI=1S/C15H16O2/c1-3-11-5-6-13(9-12(11)4-2)14-7-8-17-15(14)10-16/h5-10H,3-4H2,1-2H3
InChIKeyUFKZLXOQVZEKNO-UHFFFAOYSA-N
XLogP3.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethylphenyl)furan-2-carbaldehyde?
The IUPAC name of 3-(3,4-diethylphenyl)furan-2-carbaldehyde (CID 106888488) is 3-(3,4-diethylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(3,4-diethylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(3,4-diethylphenyl)furan-2-carbaldehyde is CCc1ccc(-c2ccoc2C=O)cc1CC.
What is the InChIKey of 3-(3,4-diethylphenyl)furan-2-carbaldehyde?
The InChIKey is UFKZLXOQVZEKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-11-5-6-13(9-12(11)4-2)14-7-8-17-15(14)10-16/h5-10H,3-4H2,1-2H3.
What are the key properties of 3-(3,4-diethylphenyl)furan-2-carbaldehyde?
3-(3,4-diethylphenyl)furan-2-carbaldehyde has a molecular weight of 228.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 106888488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).