5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde

C17H20O3 — CID 65237566

IUPAC5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde
SMILESCCc1ccc(Oc2ccc(C=O)o2)c(C(C)(C)C)c1
InChIInChI=1S/C17H20O3/c1-5-12-6-8-15(14(10-12)17(2,3)4)20-16-9-7-13(11-18)19-16/h6-11H,5H2,1-4H3
InChIKeyHHJPIRDLCUDVPP-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.74
Rot. Bonds4

About 5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde

5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde (PubChem CID 65237566) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde
PubChem CID65237566
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde
SMILESCCc1ccc(Oc2ccc(C=O)o2)c(C(C)(C)C)c1
InChIInChI=1S/C17H20O3/c1-5-12-6-8-15(14(10-12)17(2,3)4)20-16-9-7-13(11-18)19-16/h6-11H,5H2,1-4H3
InChIKeyHHJPIRDLCUDVPP-UHFFFAOYSA-N
XLogP4.74
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.74
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-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde?
The IUPAC name of 5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde (CID 65237566) is 5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde is CCc1ccc(Oc2ccc(C=O)o2)c(C(C)(C)C)c1.
What is the InChIKey of 5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde?
The InChIKey is HHJPIRDLCUDVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-5-12-6-8-15(14(10-12)17(2,3)4)20-16-9-7-13(11-18)19-16/h6-11H,5H2,1-4H3.
What are the key properties of 5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde?
5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde has a molecular weight of 272.34 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde is sourced from PubChem (CID 65237566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).