4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde

C15H18N2O3 — CID 66153443

IUPAC4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
SMILESCOc1ccc(C=O)c(OCc2cncn2C(C)C)c1
InChIInChI=1S/C15H18N2O3/c1-11(2)17-10-16-7-13(17)9-20-15-6-14(19-3)5-4-12(15)8-18/h4-8,10-11H,9H2,1-3H3
InChIKeyABKPDJXQYJHUEU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.86
Rot. Bonds6

About 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde

4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde (PubChem CID 66153443) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
PubChem CID66153443
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
SMILESCOc1ccc(C=O)c(OCc2cncn2C(C)C)c1
InChIInChI=1S/C15H18N2O3/c1-11(2)17-10-16-7-13(17)9-20-15-6-14(19-3)5-4-12(15)8-18/h4-8,10-11H,9H2,1-3H3
InChIKeyABKPDJXQYJHUEU-UHFFFAOYSA-N
XLogP2.86
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde (CID 66153443) is 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde is COc1ccc(C=O)c(OCc2cncn2C(C)C)c1.
What is the InChIKey of 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde?
The InChIKey is ABKPDJXQYJHUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(2)17-10-16-7-13(17)9-20-15-6-14(19-3)5-4-12(15)8-18/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde?
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde has a molecular weight of 274.32 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 66153443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).