6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one

C₁₁H₁₂O₂CAS 2472-22-2176.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.21 g/mol
Exact mass: 176.0837 Da
Melting point: 34–35 °C
Boiling point: 135 °C (at 0.8 Torr)
logP: 1.75Crippen 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 2 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

2472-22-2

SMILES

COc1ccc2c(c1)CCC(=O)C2

InChIKey

RMRKDYNVZWKAFP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

6-Methoxy-2-tetralone
2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-
3,4-Dihydro-6-methoxy-2(1H)-naphthalenone
3,4-Dihydro-6-methoxynaphthalen-2(1H)-one
6-Methoxy-3,4-dihydro-2(1H)-naphthalenone
6-Methoxy-β-tetralone
6-Methoxy-3,4-dihydro-1H-naphthalen-2-one
6-Methoxytetralin-2-one

Reactions

6-METHOXY-β-TETRALONE (2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-)product

Work with 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one

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

7-Methoxy-2-tetralone4133-34-088 % similar 6-Methoxy-1-indanone13623-25-156 % similar 5-Methoxy-1-indanone5111-70-656 % similar 6-Chloro-2-tetralone17556-18-255 % similar 6-Fluoro-1,2,3,4-tetrahydronaphthalen-2-one29419-14-555 % similar 6-Bromo-2-tetralone4133-35-155 % similar 6-Methoxy-3,4-dihydro-1H-quinolin-2-one54197-64-752 % similar 2-Tetralone530-93-851 % 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