| Phytochemical Name : Isovanillin |
| PCNDIDI0138 |
| Pubchem CID : 12127 |
| Molecular formula: C8H8O3 |
| Canonical SMILES : COC1=C(C=C(C=C1)C=O)O |
Synonymes : 3-Hydroxy-4-methoxybenzaldehyde|ISOVANILLIN|621-59-0|Isovanilline|5-Formylguaiacol|3-Hydroxy-p-anisaldehyde|Benzaldehyde, 3-hydroxy-4-methoxy-|Isovanicaline|3-Hydroxyanisaldehyde|3-Hydroxy-4-methoxy-benzaldehyde|iso-Vanillin|p-Anisaldehyde, 3-hydroxy-|3-hydroxy-4-anisaldehyde|Oxy-3 methoxy-4 benzaldehyde|4-Methoxy-3-hydroxybenzaldehyde|isovanilin|MFCD00003369|Oxy-3 methoxy-4 benzaldehyde [French]|5-formyl-2-methoxyphenol|EINECS 210-694-9|NSC 82996|3-Hydroxy-para-anisaldehyde|BRN 1073021|UNII-4A9N90H9X6|CHEMBL275563|DTXSID7049423|4A9N90H9X6|NSC-82996|3-Hydroxy-4-methoxybenzaldehyde-d3|4-08-00-01764 (Beilstein Handbook Reference)|isovaniline|3-hydroxy-4-methoxy benzaldehyde|ISOVANILLIC ALDEHYDE|D0E9CD|WLN: VHR CQ DO1|Isovanillin, >=95.0%|NCIOpen2_001085|SCHEMBL70256|MLS000574853|3-hydroxy4-methoxybenzaldehyde|m-hydroxy-p-methoxybenzaldehyde|3-hydroxy-4methoxy-benzaldehyde|4-methoxy-5-hydroxybenzaldehyde|DTXCID6029383|4-Methoxy-3-hydroxy-benzaldehyde|CHEBI:193161|3-hydroxy-4-methoxy- benzaldehyde|HMS2194I16|HMS3348H19|AMY40113|HY-I0637|NSC82996|P-Anisaldehyde, 3-hydroxy-(8CI)|Tox21_202858|AC-541|BBL023550|BDBM50240367|s4943|STK400134|AKOS000120260|3-Hydroxy-4-methoxybenzaldehyde, 99%|CCG-266226|CS-W009023|PS-4589|NCGC00247609-01|NCGC00260404-01|CAS-621-59-0|LS-25072|SMR000156287|SY001500|FT-0615821|FT-0615853|FT-0669804|H0263|I0519|EN300-20433|A833619|Q412986|Q-100718|F1995-0251|Z104478184 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.440 |
| Log Po/w (XLOGP3) : 0.970 |
| Log Po/w (WLOGP) : 1.210 |
| Log Po/w (MLOGP) : 0.510 |
| Log Po/w (SILICOS-IT) : 1.490 |
| Consensus Log Po/w : 1.120 |

