3-(Benzyloxy)-4-methoxybenzaldehyde

C15H14O3CAS 6346-05-0242.27 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
Melting point
63 °C
Boiling point
140–150 °C
logP
3.09Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
6346-05-0
SMILES
COc1ccc(C=O)cc1OCc1ccccc1
InChIKey
VQVQZFHUXRSRBZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c1-17-14-8-7-13(10-16)9-15(14)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

10 names
  • Benzaldehyde, 4-methoxy-3-(phenylmethoxy)-
  • Benzaldehyde, 3-(benzyloxy)-4-methoxy-
  • 4-Methoxy-3-(phenylmethoxy)benzaldehyde
  • O-Benzylisovanillin
  • Benzylisovanillin
  • Isovanillin benzyl ether
  • NSC 196547
  • NSC 43750
  • 4-Methoxy-3-benzyloxybenzaldehyde
  • 3-Benzyloxy-4-methoxybenzaldehyde

Work with 3-(Benzyloxy)-4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Bis(benzyloxy)benzaldehyde5447-02-981 % similar 4-Benzyloxy-3-ethoxybenzaldehyde60186-33-673 % similar 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-766 % similar 4-[(4-Chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde70205-04-866 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-865 % similar 2-Benzyloxy-4,5-dimethoxybenzaldehyde14382-86-664 % similar Veratraldehyde120-14-964 % similar Benzyl isoeugenol120-11-663 % 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)-3-methoxybenzaldehyde2426-87-1 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

Elsewhere

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