8-Methoxy-2-tetralone

C11H12O2CAS 5309-19-3176.21 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C11H12O2
Molar mass
176.21 g/mol
Exact mass
176.0837 Da
logP
1.75Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
5309-19-3
SMILES
COC1=CC=CC2=C1CC(=O)CC2
InChIKey
BTYBORAHYUCUMH-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4H,5-7H2,1H3

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Work with 8-Methoxy-2-tetralone

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-Dihydro-5-methoxy-2(1H)-naphthalenone32940-15-178 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-751 % similar 3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-450 % similar 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one2472-22-250 % similar 7-Methoxy-2-tetralone4133-34-050 % similar 2-Tetralone530-93-850 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-450 % similar 5-Methoxy-1-tetralone33892-75-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4

Elsewhere

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