1-(5-Hexyl-2,4-dihydroxyphenyl)-2-(4-methyl-2-thiazolyl)ethanone

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Basic information

CAS: 170466-82-7
Standard SMILES: CCCCCCc1cc(C(=O)Cc2nc(C)cs2)c(O)cc1O
InChIKey: WJXSMJQCFHJWJZ-UHFFFAOYSA-N
Molecular formula: C18H23NO3S
Average molar mass: 333.4 g/mol
Monoisotopic mass: 333.13986477

Names & identifiers

Preferred name: 1-(5-Hexyl-2,4-dihydroxyphenyl)-2-(4-methyl-2-thiazolyl)ethanone
IUPAC: 1-(5-hexyl-2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

Names & synonyms

DTXSID6011729211-(5-Hexyl-2,4-dihydroxyphenyl)-2-(4-methyl-2-thiazolyl)ethanone170466-82-71-(5-Hexyl-2,4-dihydroxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethan-1-one

Database identifiers

CAS: 170466-82-7
PubChem CID: 3924404
DTXSID: DTXSID601172921

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 98.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 379

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Compound notes

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