2-Propoxy-benzaldehyde

C10H12O2CAS 7091-12-5164.20 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
logP
2.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 43 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7091-12-5
SMILES
CCCOC1=CC=CC=C1C=O
InChIKey
CDUPASLURGOXGD-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6,8H,2,7H2,1H3

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Names and synonyms

1 names
  • 2-Propyloxybenzaldehyde

Work with 2-Propoxy-benzaldehyde

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

2-Ethoxybenzaldehyde613-69-474 % similar 2-(2-Hydroxyethoxy)benzaldehyde22042-72-465 % similar 2-(Benzyloxy)benzaldehyde5896-17-357 % similar 2-(Allyloxy)benzaldehyde28752-82-156 % similar 2-Methoxybenzaldehyde135-02-455 % similar Ethyl 2-(2-formylphenoxy)acetate41873-61-454 % similar 3-Ethoxysalicylaldehyde492-88-651 % similar (2-Formylphenoxy)acetic acid6280-80-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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