5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde

C14H14O3 — CID 7019247

IUPAC5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
SMILESCc1cc(C)cc(OCc2ccc(C=O)o2)c1
InChIInChI=1S/C14H14O3/c1-10-5-11(2)7-14(6-10)16-9-13-4-3-12(8-15)17-13/h3-8H,9H2,1-2H3
InChIKeyHIIUTXJHRYIGQA-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.29
Rot. Bonds4

About 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde

5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde (PubChem CID 7019247) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
PubChem CID7019247
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
SMILESCc1cc(C)cc(OCc2ccc(C=O)o2)c1
InChIInChI=1S/C14H14O3/c1-10-5-11(2)7-14(6-10)16-9-13-4-3-12(8-15)17-13/h3-8H,9H2,1-2H3
InChIKeyHIIUTXJHRYIGQA-UHFFFAOYSA-N
XLogP3.29
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.29
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-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde (CID 7019247) is 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde is Cc1cc(C)cc(OCc2ccc(C=O)o2)c1.
What is the InChIKey of 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde?
The InChIKey is HIIUTXJHRYIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10-5-11(2)7-14(6-10)16-9-13-4-3-12(8-15)17-13/h3-8H,9H2,1-2H3.
What are the key properties of 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde?
5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde has a molecular weight of 230.26 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 7019247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).