Molecule ID: 22094277

IUPAC Name: 1-isocyanato-4-[(4-methylphenyl)methyl]benzene

Description: The molecule is an isocyanate that is diphenylmethane with a isocyanato substituent at the 4-position of one phenyl ring and a methyl group at the 4-position of the other.

SMILES: Cc1ccc(Cc2ccc(N=C=O)cc2)cc1

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

InChI: InChI=1S/C15H13NO/c1-12-2-4-13(5-3-12)10-14-6-8-15(9-7-14)16-11-17/h2-9H,10H2,1H3

Molecular Properties:
- Polar Surface Area: 29.4 Ų
- LogP: 5.0