7-Methoxy-8-(3-methylbut-2-enyl)chromen-2-one | SBID = 333 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 35.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.8 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C15H16O3 | ||
| M / g/mol: | 244.29 | ||
| Complexity: | 366.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: 7-Methoxy-8-(3-methylbut-2-enyl)chromen-2-one
- Preferred Abbreviation: Osthole
- IUPAC Name: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
- CAS: 484-12-8
- CID: 10228
- InChiKey: MBRLOUHOWLUMFF-UHFFFAOYSA-N
- InChi: InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
- CanoSmiles: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
- IsoSmiles: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C
