5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde

C15H16O3 — CID 169332268

IUPAC5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
SMILESCCC(C)Oc1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C15H16O3/c1-3-11(2)17-14-7-5-4-6-13(14)15-9-8-12(10-16)18-15/h4-11H,3H2,1-2H3
InChIKeyPEMOYXJWOMYSCJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.94
Rot. Bonds5

About 5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde

5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde (PubChem CID 169332268) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
PubChem CID169332268
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
SMILESCCC(C)Oc1ccccc1-c1ccc(C=O)o1
InChIInChI=1S/C15H16O3/c1-3-11(2)17-14-7-5-4-6-13(14)15-9-8-12(10-16)18-15/h4-11H,3H2,1-2H3
InChIKeyPEMOYXJWOMYSCJ-UHFFFAOYSA-N
XLogP3.94
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.94
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-butan-2-yloxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde (CID 169332268) is 5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde is CCC(C)Oc1ccccc1-c1ccc(C=O)o1.
What is the InChIKey of 5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde?
The InChIKey is PEMOYXJWOMYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-3-11(2)17-14-7-5-4-6-13(14)15-9-8-12(10-16)18-15/h4-11H,3H2,1-2H3.
What are the key properties of 5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde?
5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde has a molecular weight of 244.29 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169332268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).