2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde

C15H18N2O3 — CID 43471263

IUPAC2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCCn2ccnc2)c1
InChIInChI=1S/C15H18N2O3/c1-2-8-19-14-4-3-13(11-18)15(10-14)20-9-7-17-6-5-16-12-17/h3-6,10-12H,2,7-9H2,1H3
InChIKeyMDIFSVNINBWKGI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.56
Rot. Bonds8

About 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde

2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde (PubChem CID 43471263) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde
PubChem CID43471263
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCCn2ccnc2)c1
InChIInChI=1S/C15H18N2O3/c1-2-8-19-14-4-3-13(11-18)15(10-14)20-9-7-17-6-5-16-12-17/h3-6,10-12H,2,7-9H2,1H3
InChIKeyMDIFSVNINBWKGI-UHFFFAOYSA-N
XLogP2.56
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.56
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 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde?
The IUPAC name of 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde (CID 43471263) is 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde.
What is the SMILES notation for 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde?
The canonical SMILES for 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCCn2ccnc2)c1.
What is the InChIKey of 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde?
The InChIKey is MDIFSVNINBWKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-8-19-14-4-3-13(11-18)15(10-14)20-9-7-17-6-5-16-12-17/h3-6,10-12H,2,7-9H2,1H3.
What are the key properties of 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde?
2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde has a molecular weight of 274.32 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde is sourced from PubChem (CID 43471263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).