| Phytochemical Name : 3-Methylcoumarin |
| PCNDIDOT0792 |
| Pubchem CID : 17130 |
| Molecular formula: C10H8O2 |
| Canonical SMILES : CC1=CC2=CC=CC=C2OC1=O |
Synonymes : 3-Methylcoumarin|2445-82-1|3-METHYL-CHROMEN-2-ONE|Methyl-2-benzopyrone|COUMARIN, 3-METHYL-|3-Methyl-2H-chromen-2-one|3-methylchromen-2-one|2H-1-Benzopyran-2-one, 3-methyl-|3-Methyl-2H-1-benzopyran-2-one|1333-47-7|2H-1-Benzopyran-2-one, methyl-|EINECS 219-498-8|NSC 65664|BRN 0122776|UNII-5HV5045SSF|UNII-9PCU0P29Z3|9PCU0P29Z3|EINECS 215-592-8|NSC-65664|5-17-10-00165 (Beilstein Handbook Reference)|methylcoumarin|3-Methylcumarin|Coumarin, methyl-|NSC65664|METHYLCOUMARIN, 3-|NCIOpen2_000275|SCHEMBL30023|5HV5045SSF|3-Methyl-2H-chromen-2-one #|DTXSID201031385|AKOS006271530|LS-55252|2H-1-Benzopyran-2-one, 3-methyl- (9CI)|FT-0745305|F72673|10.14272/VIIIJFZJKFXOGG-UHFFFAOYSA-N.1|doi:10.14272/VIIIJFZJKFXOGG-UHFFFAOYSA-N.1|Q27272861 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.010 |
| Log Po/w (XLOGP3) : 2.280 |
| Log Po/w (WLOGP) : 2.100 |
| Log Po/w (MLOGP) : 1.950 |
| Log Po/w (SILICOS-IT) : 2.940 |
| Consensus Log Po/w : 2.260 |