4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde

C13H16O3 — CID 134843951

IUPAC4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde
SMILESC=CC(C)(C)Oc1cc(OC)ccc1C=O
InChIInChI=1S/C13H16O3/c1-5-13(2,3)16-12-8-11(15-4)7-6-10(12)9-14/h5-9H,1H2,2-4H3
InChIKeyWUEKIJVBSBOAJD-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.85
Rot. Bonds5

About 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde

4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde (PubChem CID 134843951) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde
PubChem CID134843951
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde
SMILESC=CC(C)(C)Oc1cc(OC)ccc1C=O
InChIInChI=1S/C13H16O3/c1-5-13(2,3)16-12-8-11(15-4)7-6-10(12)9-14/h5-9H,1H2,2-4H3
InChIKeyWUEKIJVBSBOAJD-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2-(2-bromoprop-2-enoxy)-4-methoxybenzaldehyde
CID 61230234
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
2-(2-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde?
The IUPAC name of 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde (CID 134843951) is 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde.
What is the SMILES notation for 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde?
The canonical SMILES for 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde is C=CC(C)(C)Oc1cc(OC)ccc1C=O.
What is the InChIKey of 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde?
The InChIKey is WUEKIJVBSBOAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-5-13(2,3)16-12-8-11(15-4)7-6-10(12)9-14/h5-9H,1H2,2-4H3.
What are the key properties of 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde?
4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde has a molecular weight of 220.27 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde is sourced from PubChem (CID 134843951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).