3-Formyl-6-isopropylchromone

C13H12O3CAS 49619-58-1216.24 g/mol

Open in Covalent MOL file
OOO
Aldehyde

Properties

Molecular formula
C13H12O3
Molar mass
216.24 g/mol
Exact mass
216.0786 Da
logP
2.73Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
49619-58-1
SMILES
CC(C)C1=CC2=C(C=C1)OC=C(C2=O)C=O
InChIKey
FRRYMYQANNFABF-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O3/c1-8(2)9-3-4-12-11(5-9)13(15)10(6-14)7-16-12/h3-8H,1-2H3

Weigh it out

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Work with 3-Formyl-6-isopropylchromone

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-Formyl-6-methylchromone42059-81-464 % similar 6-Chloro-3-formylchromone42248-31-760 % similar 6-Bromo-3-formylchromone52817-12-660 % similar 6-Fluoro-3-formylchromone69155-76-660 % similar 6-Ethyl-3-formylchromone42059-78-960 % similar 6-Isopropylchromone-3-carbonitrile50743-32-359 % similar 3-Formylchromone17422-74-156 % similar 6-Chloro-3-formyl-7-methylchromone64481-12-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-Hydroxy-8-methyl-2-naphthoate16059-74-8 Menadiol monoacetate2211-27-0 2-Ethoxy-1-naphthalenecarboxylic acid2224-00-2 6-Methoxy-2-naphthylacetic acid23981-47-7 7-Methoxy-1-naphthaleneacetic acid6836-22-2

Elsewhere

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