3-Allyloxy-4-methoxybenzaldehyde

HCID 534148

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Basic information

CAS: 18075-40-6
Standard SMILES: C=CCOc1cc(C=O)ccc1OC
InChIKey: WUDYMKBALKOCCE-UHFFFAOYSA-N
Molecular formula: C11H12O3
Average molar mass: 192.21 g/mol
Monoisotopic mass: 192.07864424

Names & identifiers

Preferred name: 3-Allyloxy-4-methoxybenzaldehyde
IUPAC: 4-methoxy-3-prop-2-enoxybenzaldehyde
English name: 3-Allyloxy-4-methoxybenzaldehyde
Molecular formula: C11H12O3
Molecular weight: 192.21

Names & synonyms

18075-40-63-ALLYLOXY-4-METHOXYBENZALDEHYDE3-(Allyloxy)-4-methoxybenzaldehyde4-methoxy-3-prop-2-enoxybenzaldehydeBenzaldehyde, 4-methoxy-3-(2-propen-1-yloxy)-3-Allyloxy-4-methoxy-benzaldehydeO-allylisovanillinMFCD00266406Benzaldehyde,4-methoxy-3-(2-propen-1-yloxy)-SCHEMBL1748511DTXSID303365013-(Allyloxy)-4-methoxybenzaldehyde #

Show more names

AKOS000190344SB85420DB-0444054-Methoxy-3-(2-propen-1-yloxy)benzaldehydeBenzaldehyde, 4-methoxy-3-(2-propenyloxy)-CS-0359583H204774-Methoxy-3-[(prop-2-en-1-yl)oxy]benzaldehyde

Database identifiers

CAS: 18075-40-6
PubChem CID: 534148
DTXSID: DTXSID30336501
Nikkaji: J1.282.505F

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 191

Physicochemical properties

Boiling point: 313.2 · 313.2±27.0 °C(Predicted)
Density: 1.084 · 1.084±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: Colorless to light yellow Liquid

Chemistry & industry

Applications · 1 item

Uses3-Allyloxy-4-methoxybenzaldehyde is an intermediate in synthesizing Diosmetin 3’,7-Diglucuronide (D485040), a metabolite of Diosmetin (D485000) which is a flavonoid often administered in the treatment of chronic venous insufficiency, hemorrhoids, and related affections.