2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde

C14H16N2O2 — CID 63325007

IUPAC2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde
SMILESCCn1ccnc1COc1ccc(C)cc1C=O
InChIInChI=1S/C14H16N2O2/c1-3-16-7-6-15-14(16)10-18-13-5-4-11(2)8-12(13)9-17/h4-9H,3,10H2,1-2H3
InChIKeyQKMGJXIQBOBUOK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.60
Rot. Bonds5

About 2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde

2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde (PubChem CID 63325007) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde
PubChem CID63325007
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde
SMILESCCn1ccnc1COc1ccc(C)cc1C=O
InChIInChI=1S/C14H16N2O2/c1-3-16-7-6-15-14(16)10-18-13-5-4-11(2)8-12(13)9-17/h4-9H,3,10H2,1-2H3
InChIKeyQKMGJXIQBOBUOK-UHFFFAOYSA-N
XLogP2.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde (CID 63325007) is 2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde is CCn1ccnc1COc1ccc(C)cc1C=O.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde?
The InChIKey is QKMGJXIQBOBUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-16-7-6-15-14(16)10-18-13-5-4-11(2)8-12(13)9-17/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde?
2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde has a molecular weight of 244.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 63325007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).