2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde

C15H18N2O3 — CID 66141723

IUPAC2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCc2cncn2C)c1
InChIInChI=1S/C15H18N2O3/c1-3-6-19-14-5-4-12(9-18)15(7-14)20-10-13-8-16-11-17(13)2/h4-5,7-9,11H,3,6,10H2,1-2H3
InChIKeySMUNMWXXJDQHBH-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.60
Rot. Bonds7

About 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde

2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde (PubChem CID 66141723) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
PubChem CID66141723
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCc2cncn2C)c1
InChIInChI=1S/C15H18N2O3/c1-3-6-19-14-5-4-12(9-18)15(7-14)20-10-13-8-16-11-17(13)2/h4-5,7-9,11H,3,6,10H2,1-2H3
InChIKeySMUNMWXXJDQHBH-UHFFFAOYSA-N
XLogP2.60
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66154912
2-[(1-methylpyrazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 43415503
2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde
CID 43471263
2-[(5-bromo-3-pyridinyl)methoxy]-4-propoxybenzaldehyde
CID 115580502
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153443
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-4-propoxybenzaldehyde
CID 43388404
2-(1,2,4-oxadiazol-3-ylmethoxy)-4-propoxybenzaldehyde
CID 43388449
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde
CID 43388442
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde
CID 43388336

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde?
The IUPAC name of 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde (CID 66141723) is 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde.
What is the SMILES notation for 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde?
The canonical SMILES for 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCc2cncn2C)c1.
What is the InChIKey of 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde?
The InChIKey is SMUNMWXXJDQHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-6-19-14-5-4-12(9-18)15(7-14)20-10-13-8-16-11-17(13)2/h4-5,7-9,11H,3,6,10H2,1-2H3.
What are the key properties of 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde?
2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde has a molecular weight of 274.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde is sourced from PubChem (CID 66141723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).