5-Methoxy-1-tetralone

C₁₁H₁₂O₂CAS 33892-75-0176.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.21 g/mol
Exact mass: 176.0837 Da
Melting point: 89–89.5 °C
Boiling point: 160–164 °C (at 12 Torr)
logP: 2.21Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

33892-75-0

SMILES

COc1cccc2c1CCCC2=O

InChIKey

BRCPWISABURVIH-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O2/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7H,2,5-6H2,1H3

Weigh it out

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

Names and synonyms

9 names

1(2H)-Naphthalenone, 3,4-dihydro-5-methoxy-
3,4-Dihydro-5-methoxy-1(2H)-naphthalenone
5-Methoxytetralone
5-Methoxy-α-tetralone
5-Methoxy-3,4-dihydronaphthalen-1(2H)-one
NSC 310000
5-Methoxy-1,2,3,4-tetrahydro-1-oxonaphthalene
5-Methoxy-3,4-dihydro-2H-naphthalen-1-one
5-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one

Work with 5-Methoxy-1-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

4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-782 % similar 5-Bromo-1-tetralone68449-30-958 % similar 5-Hydroxy-1-tetralone28315-93-756 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-255 % similar Levobunolol47141-42-451 % similar 3,4-Dihydro-5-methoxy-2(1H)-naphthalenone32940-15-149 % similar 8-Methoxy-2-tetralone5309-19-349 % similar 7-Methoxy-1-tetralone6836-19-749 % 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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