| Phytochemical Name : 5-Hydroxymethylfurfural |
| PCNDIDOT0961 |
| Pubchem CID : 237332 |
| Molecular formula: C6H6O3 |
| Canonical SMILES : C1=C(OC(=C1)C=O)CO |
Synonymes : 5-HYDROXYMETHYLFURFURAL|67-47-0|5-Hydroxymethyl-2-furaldehyde|5-(hydroxymethyl)furan-2-carbaldehyde|5-(Hydroxymethyl)furfural|5-(Hydroxymethyl)-2-furaldehyde|Hydroxymethylfurfural|5-(Hydroxymethyl)-2-furfural|5-Oxymethylfurfurole|5-Hydroxymethylfuraldehyde|Hydroxymethylfurfurole|5-(Hydroxymethyl)-2-furancarbonal|2-Hydroxymethyl-5-furfural|5-Hydroxymethylfuran-2-aldehyde|Hydroxymethylfurfuraldehyde|5-Hydroxymethyl-2-formylfuran|Hydroxymethylfurfuralaldehyde|5-Hydroxymethyl-2-furfural|2-Furancarboxaldehyde, 5-(hydroxymethyl)-|5-(Hydroxymethyl)-2-furfuraldehyde|5-Hydroxymethylfurfuraldehyde|5-(Hydroxymethyl)-2-furancarboxaldehyde|5-(Hyddroxymethyl)furfurole|HMF|NSC-40738|5-Hydroxymethyl-2-furancarboxaldehyde|5-HYDROXYMETHYL-FURFURAL|Aes-103|5-HMF|2-Furaldehyde, 5-(hydroxymethyl)-|5-Hydroxymethyl-2-furfuraldehyde|CHEBI:412516|5-(Hydroxymethyl)furan-2-aldehyde|5-Hydroxymethyl-2-furancarbaldehyde|MFCD00003234|NSC 40738|CCRIS 3160|EINECS 200-654-9|5-(Hydroxymethyl)furfurole|Aes 103|BRN 0110889|UNII-70ETD81LF0|2-formyl-5-hydroxymethylfuran|70ETD81LF0|DTXSID3030428|HSDB 7982|5-(Hydroxymethyl)-2-formylfuran|5-Hydroxymethyl-furan-2-carbaldehyde|5-hydroxymethyl furfural|5-18-01-00130 (Beilstein Handbook Reference)|DTXCID1010428|CAS-67-47-0|5-methylolfurfural|5-(Hydroxymethyl)furan-2-carboxaldehyde|5-hydromethyl-furfural|5hydroxymethyl_furfural|5-Hydrxoymethylfurfural|5-formylfurfuryl alcohol|5HMF|5-hydroxy methyl furfural|Epitope ID:136033|5-Hydroxymethyl furaldehyde|CBiol_000485|SCHEMBL19176|MLS002454379|CHEMBL185885|QSPL 022|GTPL10939|HYDROXYMETHYLFURFURAL, 5-|5-hydroxymethylfuran-2-carbaldehyde|BCP31207|CS-D1116|HY-Y0051|NSC40738|Tox21_201892|Tox21_303551|BBL100102|BDBM50487911|GEO-01528|ICCB3_000133|s3772|STL451297|5-Hydroxymethyl-2-furaldehyde, 99%|5-(hydroxymethyl)-2-furfural (HMF)|AKOS005166879|AC-1262|CCG-266098|DB12298|GS-3074|LS-1562|5-(hydroxymethyl)-furan-2-carbaldehyde|NCGC00091513-01|NCGC00091513-02|NCGC00257266-01|NCGC00259441-01|5-(hydroxymethyl)-2-furan-carboxaldehyde|5-(Hydroxymethyl)furfural, >=99%, FG|SMR000393981|SY010869|5-(hydroxy methyl) 2-furan-carboxaldehyde|A9037|AM20100616|FT-0600483|H0269|5-(HYDROXYMETHYL)-2-FURALDEHYDE [MI]|EN300-82764|5-(Hydroxymethyl)furfural, analytical standard|Q414606|Q-200545|5-hydroxymethylfurfural; 5-(hydroxymethyl)-2-furaldehyde|F2191-0155|Z1238542812|5-(hydroxymethyl)furan-2-carbaldehyde;5-(Hydroxymethyl)furfural |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 0.910 |
| Log Po/w (XLOGP3) : -0.580 |
| Log Po/w (WLOGP) : 0.430 |
| Log Po/w (MLOGP) : -1.060 |
| Log Po/w (SILICOS-IT) : 1.240 |
| Consensus Log Po/w : 0.190 |

