Nabumetone

C₁₅H₁₆O₂CAS 42924-53-8228.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₆O₂
Molar mass: 228.29 g/mol
Exact mass: 228.1150 Da
Melting point: 80 °C
logP: 3.37Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed42.9% of notifiers
H315 Causes skin irritation28.6% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers
H361 Suspected of damaging fertility or the unborn child28.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure14.3% of notifiers
H400 Very toxic to aquatic life14.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects57.1% of notifiers
H411 Toxic to aquatic life with long lasting effects14.3% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

42924-53-8

SMILES

COc1ccc2cc(CCC(C)=O)ccc2c1

InChIKey

BLXXJMDCKKHMKV-UHFFFAOYSA-N

InChI

InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

20 names · show all

Nabugesic 500
2-Butanone, 4-(6-methoxy-2-naphthalenyl)-
4-(6-Methoxy-2-naphthalenyl)-2-butanone
4-(6-Methoxy-2-naphthyl)-2-butanone
BRL 14777
Relafen
Nabumeton
1-(2′-Methoxynaphth-6′-yl)butan-3-one
Arthaxan
Relifex
Nabuser
Balmox
Consolan
Relifen
Gambaran
Coxalgan
Nabucox
Nabuton VP
Rodanol
Relif

Work with Nabumetone

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-(4-Methoxyphenyl)-2-butanone104-20-174 % similar Zingerone122-48-557 % similar 6-Methoxy-2-naphthylacetic acid23981-47-756 % similar 4-Methoxyphenylacetone122-84-954 % similar 4-(p-Acetoxyphenyl)-2-butanone3572-06-354 % similar Dulcinyl55418-52-551 % similar 2-Acetyl-6-methoxynaphthalene3900-45-650 % similar 2,6-Dimethoxynaphthalene5486-55-550 % similar

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

Same formula

2-[2-(3-Methoxyphenyl)ethyl]phenol167145-13-3 Wang resin201058-08-4 1,1′-(Dimethoxymethylene)bis[benzene]2235-01-0 4-(Phenylmethoxy)benzeneethanol61439-59-6 Bisphenol A80-05-7

Elsewhere

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