4-(Benzyloxy)-3-methoxybenzaldehyde

C₁₅H₁₄O₃CAS 2426-87-1242.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₄O₃
Molar mass: 242.27 g/mol
Exact mass: 242.0943 Da
Melting point: 67 °C
Boiling point: 185 °C (at 2 Torr)
logP: 3.09Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2426-87-1

SMILES

COc1cc(C=O)ccc1OCc1ccccc1

InChIKey

JSHLOPGSDZTEGQ-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O3/c1-17-15-9-13(10-16)7-8-14(15)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Benzaldehyde, 3-methoxy-4-(phenylmethoxy)-
Benzaldehyde, 4-(benzyloxy)-3-methoxy-
3-Methoxy-4-(phenylmethoxy)benzaldehyde
Vanillin benzyl ether
O-Benzylvanillin
4-O-Benzylvanillin
3-Methoxy-4-(benzyloxy)benzaldehyde
Benzylvanillin
NSC 208757
NSC 22599
NSC 44876
5: PN: WO2019043417 SEQID: 21 claimed sequence

Work with 4-(Benzyloxy)-3-methoxybenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-089 % similar 3,4-Bis(benzyloxy)benzaldehyde5447-02-981 % similar 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-774 % similar 4-[(4-Chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde70205-04-874 % similar 4-Benzyloxy-3-ethoxybenzaldehyde60186-33-673 % similar Benzyl isoeugenol120-11-671 % similar 2-Benzyloxy-4,5-dimethoxybenzaldehyde14382-86-668 % similar 3-Methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde81307-09-766 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-0 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Fenoprofen31879-05-7 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3 Bis(phenylmethyl) carbonate3459-92-5

Elsewhere

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