Molecule ID: 257435

IUPAC Name: 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(pyrrolidin-1-ylmethyl)chromen-7-ol

Description: The molecule is a member of the class of chromenes that is 2H-1-benzopyran substituted by methyl groups at positions 2 and 2, an ethyl group at position 4, a hydroxy group at position 7, a 1-pyrrolidinylmethyl group at position 6 and a 4-methoxyphenyl group at position 3 respectively. It is a member of chromenes, a monomethoxybenzene, a member of phenols and a member of pyrrolidines.

SMILES: CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(O)c(CN3CCCC3)cc21

SELFIES: [C][C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][Ring2][Ring1][O]

InChI: InChI=1S/C25H31NO3/c1-5-20-21-14-18(16-26-12-6-7-13-26)22(27)15-23(21)29-25(2,3)24(20)17-8-10-19(28-4)11-9-17/h8-11,14-15,27H,5-7,12-13,16H2,1-4H3

Molecular Properties:
- Polar Surface Area: 41.9 Ų
- LogP: 4.3