chempirical

2,3,5-Trimethylnaphthalene

C13H14CAS 2245-38-7170.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C13H14
Molar mass
170.25 g/mol
Exact mass
170.1096 Da
Melting point
25.3 °C
Boiling point
285 °C
logP
3.77Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
2245-38-7
SMILES
Cc1cc2cccc(C)c2cc1C
InChIKey
JBXULKRNHAQMAS-UHFFFAOYSA-N
InChI
InChI=1S/C13H14/c1-9-5-4-6-12-7-10(2)11(3)8-13(9)12/h4-8H,1-3H3

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Names and synonyms

3 names
  • Naphthalene, 1,6,7-trimethyl-
  • 1,6,7-Trimethylnaphthalene
  • NSC 89511

Work with 2,3,5-Trimethylnaphthalene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,7-Dimethylnaphthalene575-37-159 % similar 1,6-Dimethylnaphthalene575-43-959 % similar 2,3-Dimethylnaphthalene581-40-859 % similar Methylnaphthalene1321-94-458 % similar 1-Methylnaphthalene90-12-058 % similar 1,5-Dimethylnaphthalene571-61-955 % similar 1-Methylpyrene2381-21-752 % similar 1,8-Dimethylnaphthalene569-41-550 % similar

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

Same formula

2-Isopropylnaphthalene2027-17-0 4,6,8-Trimethylazulene941-81-1

Elsewhere

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