3,4-Dihydro-5-methoxy-2(1H)-naphthalenone

C₁₁H₁₂O₂CAS 32940-15-1176.21 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.21 g/mol
Exact mass: 176.0837 Da
Melting point: 35–37 °C
Boiling point: 120–122 °C (at 0.4 Torr)
logP: 1.75Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H400 Very toxic to aquatic life16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

32940-15-1

SMILES

COc1cccc2c1CCC(=O)C2

InChIKey

MDAIAXRTLTVEOU-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4H,5-7H2,1H3

Weigh it out

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

Names and synonyms

7 names

2(1H)-Naphthalenone, 3,4-dihydro-5-methoxy-
5-Methoxy-2-tetralone
5-Methoxy-3,4-dihydro-2(1H)-naphthalenone
5-Methoxy-β-tetralone
2-Oxo-5-methoxy-1,2,3,4-tetrahydronaphthalene
NSC 88880
5-Methoxytetralin-2-one

Work with 3,4-Dihydro-5-methoxy-2(1H)-naphthalenone

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

8-Methoxy-2-tetralone5309-19-378 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-755 % 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 5-Methoxy-1-tetralone33892-75-049 % similar 3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-447 % similar 3-(2-Methoxyphenyl)propionic acid6342-77-447 % 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

PubChem CAS Common Chemistry NIST WebBook