2,6-dimethylphenol; 1-(2,6-dimethylphenoxy)pentan-2-ol

Systemtic Name: 2,6-dimethylphenol; 1-(2,6-dimethylphenoxy)pentan-2-ol Openeye Name: 2,6-dimethylphenol; 1-(2,6-dimethylphenoxy)pentan-2-ol CAS Name: 2,6-dimethylphenol; 1-(2,6-dimethylphenoxy)-2-pentanol IUPAC Name: 2,6-dimethylphenol; 1-(2,6-dimethylphenoxy)pentan-2-ol Traditional Name: 1-(2,6-dimethylphenoxy)pentan-2-ol; 2,6-xylenol Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(COC1=C(C=CC=C1C)C)O.CC1=C(C(=CC=C1)C)O

Isomeric SMILES

CCCC(COC1=C(C=CC=C1C)C)O.CC1=C(C(=CC=C1)C)O

InChI

InChI=1S/C13H20O2.C8H10O/c1-4-6-12(14)9-15-13-10(2)7-5-8-11(13)3;1-6-4-3-5-7(2)8(6)9/h5,7-8,12,14H,4,6,9H2,1-3H3;3-5,9H,1-2H3