- 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
- InChI Key
- MBRLOUHOWLUMFF-UHFFFAOYSA-N
- Formula
- C15H16O3
- SMILES
- COc1ccc2ccc(=O)oc2c1CC=C(C)C
- Molecular Weight1
- 244.29
- CAS
- 484-12-8
- Other Names
-
- 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-buten-1-yl)-
- 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-
- 7-Methoxy-8-(3-methyl-2-butenyl)-coumarin
- 7-Methoxy-8-isopentenylcoumarin
- 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
- 8-(3-Methyl-2-butenyl)herniarin
- Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-
- NSC 31868
- Osthol
- Ostol
- Ostole
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | [-4.31; -4.31] |
|
|
| log10WS | -4.31 | Aq. Sol... | |
| log10WS | -4.31 | Estimat... | |
| logPoct/wat | 3.310 | Crippen Calculated Property | |
| McVol | 192.300 | ml/mol | McGowan Calculated Property |
| Inp | [2138.00; 2174.00] |
|
|
| Inp | 2138.00 | NIST | |
| Inp | Outlier 2174.00 | NIST | |
| Inp | 2139.00 | NIST | |
| Inp | 2143.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Inp | 2157.00 | NIST | |
| Inp | 2157.00 | NIST | |
| Inp | 2138.00 | NIST | |
| Inp | 2157.00 | NIST | |
| Inp | 2138.00 | NIST | |
| I | [2942.00; 2942.00] |
|
|
| I | 2942.00 | NIST | |
| I | 2942.00 | NIST | |
| Tfus | 356.65 | K | Aq. Sol... |
Similar Compounds
Find more compounds similar to Osthole.
Mixtures
Sources
- Crippen Method
- Solubility of osthole in a binary system of ethanol and water
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.