3-Ethoxy-4-methoxybenzaldehyde

C10H12O3CAS 1131-52-8180.20 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
logP
1.91Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
1131-52-8
SMILES
CCOC1=C(C=CC(=C1)C=O)OC
InChIKey
VAMZHXWLGRQSJS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-7H,3H2,1-2H3

Weigh it out

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

Work with 3-Ethoxy-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Diethoxybenzaldehyde2029-94-981 % similar Veratraldehyde120-14-972 % similar 3-Methoxy-4-propoxy-benzaldehyde57695-98-468 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-065 % similar 4-Benzyloxy-3-ethoxybenzaldehyde60186-33-663 % similar Ethylvanillin121-32-463 % similar 2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde29668-44-862 % similar 3-Cyclopentyloxy-4-methoxybenzaldehyde67387-76-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2 4-(1-Methylethoxy)benzoic acid13205-46-4

Elsewhere

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