4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde

C14H16N2O3 — CID 114528014

IUPAC4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
SMILESCOc1ccc(C=O)cc1OCCc1nccn1C
InChIInChI=1S/C14H16N2O3/c1-16-7-6-15-14(16)5-8-19-13-9-11(10-17)3-4-12(13)18-2/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyVNMVABZTDQEQRM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.86
Rot. Bonds6

About 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde

4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde (PubChem CID 114528014) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
PubChem CID114528014
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
SMILESCOc1ccc(C=O)cc1OCCc1nccn1C
InChIInChI=1S/C14H16N2O3/c1-16-7-6-15-14(16)5-8-19-13-9-11(10-17)3-4-12(13)18-2/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyVNMVABZTDQEQRM-UHFFFAOYSA-N
XLogP1.86
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.86
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

4-[2-(1-methylimidazol-2-yl)ethoxy]-3-nitrobenzaldehyde
CID 114528018
4-methoxy-3-(3-pyrazol-1-ylpropoxy)benzaldehyde
CID 167995690
4-methoxy-3-(2-pyrrol-1-ylethoxy)benzaldehyde
CID 141375491
3-methoxy-4-[1-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 117052364
N-[[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 114527142
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275
[5-methoxy-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boronic acid
CID 114528534
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(1-methylimidazol-2-yl)methoxy]-3-nitrobenzaldehyde
CID 43326878
6-[2-(1-methylimidazol-2-yl)ethoxy]-1,3-benzodioxole-5-carbaldehyde
CID 114528031

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde?
The IUPAC name of 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde (CID 114528014) is 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde?
The canonical SMILES for 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde is COc1ccc(C=O)cc1OCCc1nccn1C.
What is the InChIKey of 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde?
The InChIKey is VNMVABZTDQEQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-7-6-15-14(16)5-8-19-13-9-11(10-17)3-4-12(13)18-2/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde?
4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde has a molecular weight of 260.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 114528014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).