5-(4-tert-butylphenyl)furan-2-carbaldehyde

C15H16O2 — CID 22566716

IUPAC5-(4-tert-butylphenyl)furan-2-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C15H16O2/c1-15(2,3)12-6-4-11(5-7-12)14-9-8-13(10-16)17-14/h4-10H,1-3H3
InChIKeyYTOKXAQEJOFNOU-UHFFFAOYSA-N
MW228.29 g/mol
LogP4.06
Rot. Bonds2

About 5-(4-tert-butylphenyl)furan-2-carbaldehyde

5-(4-tert-butylphenyl)furan-2-carbaldehyde (PubChem CID 22566716) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)furan-2-carbaldehyde
PubChem CID22566716
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-(4-tert-butylphenyl)furan-2-carbaldehyde
SMILESCC(C)(C)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C15H16O2/c1-15(2,3)12-6-4-11(5-7-12)14-9-8-13(10-16)17-14/h4-10H,1-3H3
InChIKeyYTOKXAQEJOFNOU-UHFFFAOYSA-N
XLogP4.06
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-tert-butylphenyl)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

Related Compounds

5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
5-(5-formylfuran-3-yl)furan-2-carbaldehyde
CID 175213129
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
5-(4-propylsulfanylphenyl)furan-2-carbaldehyde
CID 169333150
5-(4-tert-butyl-2-nitrophenyl)furan-2-carbaldehyde
CID 169331711
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 169332736
5-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carbaldehyde
CID 169332974

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-tert-butylphenyl)furan-2-carbaldehyde (CID 22566716) is 5-(4-tert-butylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-tert-butylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-tert-butylphenyl)furan-2-carbaldehyde is CC(C)(C)c1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)furan-2-carbaldehyde?
The InChIKey is YTOKXAQEJOFNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-15(2,3)12-6-4-11(5-7-12)14-9-8-13(10-16)17-14/h4-10H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)furan-2-carbaldehyde?
5-(4-tert-butylphenyl)furan-2-carbaldehyde has a molecular weight of 228.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 22566716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).