2-Acetyl-6-methoxynaphthalene

C₁₃H₁₂O₂CAS 3900-45-6200.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₂O₂
Molar mass: 200.24 g/mol
Exact mass: 200.0837 Da
Melting point: 105 °C
Boiling point: 165–170 °C (at NaN Torr)
logP: 3.05Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H335 May cause respiratory irritation93.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3900-45-6

SMILES

COc1ccc2cc(C(C)=O)ccc2c1

InChIKey

GGWCZBGAIGGTDA-UHFFFAOYSA-N

InChI

InChI=1S/C13H12O2/c1-9(14)10-3-4-12-8-13(15-2)6-5-11(12)7-10/h3-8H,1-2H3

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Names and synonyms

13 names · show all

Ethanone, 1-(6-methoxy-2-naphthalenyl)-
2′-Acetonaphthone, 6′-methoxy-
1-(6-Methoxy-2-naphthalenyl)ethanone
6-Methoxy-2-acetylnaphthalene
6-Acetyl-2-methoxynaphthalene
1-(6-Methoxy-2-naphthalenyl)-1-ethanone
6′-Methoxy-2′-acetonaphthone
6-Methoxy-2-naphthyl methyl ketone
1-(6-Methoxy-2-naphthyl)-1-ethanone
NSC 105564
1-(2-Methoxynaphthalen-6-yl)ethanone
1-(6-Methoxy-2-naphthyl)ethanone
2-Methoxy-6-acetylnaphthalene

Reactions

2-ACETYL-6-METHOXYNAPHTHALENE (Ethanone, 1-(6-methoxy-2-naphthalenyl)-)product

Work with 2-Acetyl-6-methoxynaphthalene

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

Acetanisole100-06-168 % similar 3-Methoxyacetophenone586-37-865 % similar 6-Methoxy-2-naphthoic acid2471-70-764 % similar 2,6-Dimethoxynaphthalene5486-55-559 % similar 2′,5′-Dimethoxyacetophenone1201-38-358 % similar 2′,4′-Dimethoxyacetophenone829-20-958 % similar 3′,5′-Dimethoxyacetophenone39151-19-458 % similar 3,4-Dimethoxyacetophenone1131-62-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Monobenzone103-16-2 3-Phenoxybenzyl alcohol13826-35-2 2-Methoxyphenyl phenyl ether1695-04-1 2-Ethoxy-1-naphthalenecarboxaldehyde19523-57-0 2-[(1-Naphthalenyloxy)methyl]oxirane2461-42-9 Methyl 1-naphthylacetate2876-78-0 Ethyl 2-naphthoate3007-91-8 Ethyl 1-naphthalenecarboxylate3007-97-4

Elsewhere

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