1-[(2R,3S)-2-propyl-2,3-dihydro-1-benzofuran-3-yl]pentan-1-one

Systemtic Name: 1-[(2R,3S)-2-propyl-2,3-dihydro-1-benzofuran-3-yl]pentan-1-one Openeye Name: 1-[(2R,3S)-2-propyl-2,3-dihydrobenzofuran-3-yl]pentan-1-one CAS Name: 1-[(2R,3S)-2-propyl-2,3-dihydrobenzofuran-3-yl]-1-pentanone IUPAC Name: 1-[(2R,3S)-2-propyl-2,3-dihydro-1-benzofuran-3-yl]pentan-1-one Traditional Name: 1-[(2R,3S)-2-propylcoumaran-3-yl]pentan-1-one Formula: C16H22O2 MolecularWeight: 246.34468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1C(OC2=CC=CC=C12)CCC

Isomeric SMILES

CCCCC(=O)[C@@H]1[C@H](OC2=CC=CC=C12)CCC

InChI

InChI=1S/C16H22O2/c1-3-5-10-13(17)16-12-9-6-7-11-14(12)18-15(16)8-4-2/h6-7,9,11,15-16H,3-5,8,10H2,1-2H3/t15-,16-/m1/s1