2,3-Dihydro-2,2,4,6,7-pentamethylbenzofuran

C₁₃H₁₈OCAS 142874-81-5190.29 g/mol

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Properties

Molecular formula: C₁₃H₁₈O
Molar mass: 190.29 g/mol
Exact mass: 190.1358 Da
Melting point: 44–46 °C
logP: 3.33Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

142874-81-5

SMILES

Cc1cc(C)c2c(c1C)OC(C)(C)C2

InChIKey

YTVLAWLRJVKWCF-UHFFFAOYSA-N

InChI

InChI=1S/C13H18O/c1-8-6-9(2)11-7-13(4,5)14-12(11)10(8)3/h6H,7H2,1-5H3

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Names and synonyms

1 names

Benzofuran, 2,3-dihydro-2,2,4,6,7-pentamethyl-

Work with 2,3-Dihydro-2,2,4,6,7-pentamethylbenzofuran

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

2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride154445-78-044 % similar 2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-sulfonamide378230-81-044 % similar 2,4,6-Trimethyl-1,3-benzenedimethanethiol10074-13-237 % similar 2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene1585-17-737 % similar Pentamethylbenzene700-12-937 % similar Carbofuran phenol1563-38-833 % similar 3-Iodo-1,2,4,5-tetramethylbenzene2100-25-633 % similar 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-332 % similar

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

Same formula

Cyclamen aldehyde103-95-7 2-Cyclohexyl-5-methylphenol1596-13-0 Heptanophenone1671-75-6 Bourgeonal18127-01-0 1-(2,3,4,5,6-Pentamethylphenyl)ethanone2040-01-9 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one23696-85-7 1-(4-Pentylphenyl)ethanone37593-02-5 Spiro[5.7]trideca-1,4-dien-3-one41138-71-0

Elsewhere

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