3-Cyclopentyloxy-4-methoxybenzaldehyde

C13H16O3CAS 67387-76-2220.27 g/mol

Open in Covalent MOL file
OOO
AldehydeEther

Properties

Molecular formula
C13H16O3
Molar mass
220.27 g/mol
Exact mass
220.1099 Da
logP
2.83Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
67387-76-2
SMILES
COC1=C(C=C(C=C1)C=O)OC2CCCC2
InChIKey
FZFWPURYSWKIRT-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O3/c1-15-12-7-6-10(9-14)8-13(12)16-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3

Weigh it out

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

Work with 3-Cyclopentyloxy-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

Veratraldehyde120-14-966 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-859 % similar 4-(Difluoromethoxy)-3-methoxybenzaldehyde162401-70-959 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-255 % similar 3-(Cyclopentyloxy)-4-methoxyphenyl isocyanate185300-51-054 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-053 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-653 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Alpha-Cyclopentylmandelic acid427-49-6 Ethyl alpha-benzylacetoacetate620-79-1 cis-3-Hexenyl salicylate65405-77-8 ζ-Oxobenzeneheptanoic acid7472-43-7 1,1-Dimethylethyl 4-ethenylphenyl carbonate87188-51-0

Elsewhere

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