5-(2,5-dimethylphenoxy)furan-2-carbaldehyde

C13H12O3 — CID 65237290

IUPAC5-(2,5-dimethylphenoxy)furan-2-carbaldehyde
SMILESCc1ccc(C)c(Oc2ccc(C=O)o2)c1
InChIInChI=1S/C13H12O3/c1-9-3-4-10(2)12(7-9)16-13-6-5-11(8-14)15-13/h3-8H,1-2H3
InChIKeyBKNLPUUVSGCACZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.50
Rot. Bonds3

About 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde

5-(2,5-dimethylphenoxy)furan-2-carbaldehyde (PubChem CID 65237290) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)furan-2-carbaldehyde
PubChem CID65237290
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-(2,5-dimethylphenoxy)furan-2-carbaldehyde
SMILESCc1ccc(C)c(Oc2ccc(C=O)o2)c1
InChIInChI=1S/C13H12O3/c1-9-3-4-10(2)12(7-9)16-13-6-5-11(8-14)15-13/h3-8H,1-2H3
InChIKeyBKNLPUUVSGCACZ-UHFFFAOYSA-N
XLogP3.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylphenoxy)furan-2-carbaldehyde
CID 28814674
5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde
CID 65237718
5-(2-fluoro-3-methylphenoxy)furan-2-carbaldehyde
CID 107658903
5-(4-chloro-2,6-dimethylphenoxy)furan-2-carbaldehyde
CID 65237713
5-(3-fluoro-4-methylphenoxy)furan-2-carbaldehyde
CID 107169605
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
5-(2-tert-butylphenoxy)furan-2-carbaldehyde
CID 65237763
5-(2-tert-butyl-4-ethylphenoxy)furan-2-carbaldehyde
CID 65237566
4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
5-(2,5-dimethylphenoxy)-1,3-oxazole
CID 91303894
2-(2,5-dimethylphenoxy)-5-formylbenzonitrile
CID 114063341
3-(5-formylfuran-2-yl)oxy-5-methoxybenzonitrile
CID 103567886

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde?
The IUPAC name of 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde (CID 65237290) is 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde is Cc1ccc(C)c(Oc2ccc(C=O)o2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde?
The InChIKey is BKNLPUUVSGCACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9-3-4-10(2)12(7-9)16-13-6-5-11(8-14)15-13/h3-8H,1-2H3.
What are the key properties of 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde?
5-(2,5-dimethylphenoxy)furan-2-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)furan-2-carbaldehyde is sourced from PubChem (CID 65237290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).