| Phytochemical Name : Isoeugenol |
| PCNDIDI0064 |
| Pubchem CID : 853433 |
| Molecular formula: C10H12O2 |
| Canonical SMILES : CC=CC1=CC(=C(C=C1)O)OC |
Synonymes : Isoeugenol|97-54-1|(E)-Isoeugenol|trans-Isoeugenol|2-Methoxy-4-propenylphenol|4-Propenylguaiacol|2-methoxy-4-(prop-1-en-1-yl)phenol|5932-68-3|4-Hydroxy-3-methoxy-1-propenylbenzene|Isoeugenol trans-form|trans-p-Propenylquaiacol|4-Hydroxy-3-methoxypropenylbenzene|2-METHOXY-4-(1-PROPENYL)PHENOL|Phenol, 2-methoxy-4-propenyl-|1-Hydroxy-2-methoxy-4-propenylbenzene|trans-2-Methoxy-4-propenylphenol|Propenylguaiacol|Isoeugenol (I)|Phenol, 2-methoxy-4-(1-propenyl)-|2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol|(E)-2-Methoxy-4-(prop-1-enyl)phenol|1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|Propenylgualacol|Iso-eugenol|2-methoxy-4-[(E)-prop-1-enyl]phenol|NCI-C60979|3-Methoxy-4-hydroxypropenylbenzene|3-Methoxy-4-hydroxy-1-propen-1-ylbenzene|NSC 6769|CCRIS 744|FEMA No. 2468|Phenol, 2-methoxy-4-propenyl-, (E)-|Isoeugenol and isomers|CHEBI:50545|1-(3-Methoxy-4-hydroxyphenyl)-1-propene|4-Hydroxy-3-methoxy-1-propen-1-ylbenzene|(E)-2-Methoxy-4-(prop-1-en-1-yl)phenol|Phenol, 2-methoxy-4-(1-propenyl)-, (E)-|trans-4-Propenylgualacol|EINECS 202-590-7|EINECS 227-678-2|UNII-28FSR1NAY4|NSC 209522|BRN 1909602|BRN 2046156|28FSR1NAY4|UNII-5M0MWY797U|1-(3-Methoxy-4-hydroxyphenyl)-1-propane|AI3-15356|CHEMBL193598|Isoeugenol,c&t|HSDB 8044|NSC-209522|2-Methoxy-4-[(1E)-1-propenyl]phenol|NCGC00091470-02|Phenol, 2-methoxy-4-(1-propen-1-yl)-|Isoeugenol,predominantly trans|3-06-00-04993 (Beilstein Handbook Reference)|DTXCID502413|2-Methoxy-4-[1-propenyl]phenol|UIL135434|3-Methoxy-4-hydroxy-1-propenylbenzene|CAS-97-54-1|2-methoxy-4-propenyl-Phenol|4-06-00-06324 (Beilstein Handbook Reference)|DTXSID7022413|isougenol|isoeugenol fcc|isoeugenol tech|e-isoeugenol|isoeugenol-|Iso eugenol|Isoeugenol E|Isoeugenol Z|iso-Eugenol 2|isoeugenol 916|CHISOEUG|iso eugenol 88%+|isoeugenol extra nat us|Phenol, (E)-|Phenol, 2-methoxy-4-(1E)-1-propenyl-|ISOEUGENOL, E-|Isoeugenol, cis + trans|ISOEUGENOL, TRANS-|bmse010052|ISOEUGENOL, (E)-|IE TRANS 92|SCHEMBL57986|MLS001065576|BIDD:ER0697|WLN: 2U1R DQ CO1|Isoeugenol, analytical standard|Isoeugenol, predominantly trans|5M0MWY797U|(E)-4-PROPENYLGUAIACOL|Isoeugenol, natural, 99%, FG|DTXSID50872350|NSC6769|HMS2268O09|WLN: 2U1R DQ CO1 -E|(E)-2-methoxy-4-propenyl-Phenol|2-methoxy-4-(1-propenyl)-Phenol|ISOEUGENOL TRANS-FORM [MI]|HY-N1952|NSC-6769|Tox21_111138|Tox21_202433|Tox21_300303|BDBM50548724|MFCD00009285|NSC209522|s5757|STL264281|2-Methoxy-4-(1-propen-1-yl)phenol|AKOS000120575|Tox21_111138_1|DB14188|LS-2028|trans-2-methoxy-4-(1-propenyl)phenol|(E)-2-methoxy-4-(1-propenyl)-Phenol|2-Methoxy-4-propenylphenol (isoeugenol)|Fenol, 2-metoxi-4-(1-propen-1-il)-|NCGC00091470-01|NCGC00091470-03|NCGC00091470-04|NCGC00091470-05|NCGC00254142-01|NCGC00259982-01|(E)-2-methoxy-4- (1-propenyl)-Phenol|AC-34996|AS-61702|SMR000112408|(E)-2-Methoxy-4-(1-propen-1-yl)phenol|LS-104801|CS-0018270|I0132|(E)-2-METHOXY-4-(1-PROPENYL)PHENOL|EN300-18429|2-methoxy-4-(1-propenyl)phenol (ACD/Name 4.0)|Isoeugenol, predominantly trans, analytical standard|Q27889971|Z57953030|(E) - 2 - methoxy - 4 - (prop - 1 - enyl)phenol|F1905-7039 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.380 |
| Log Po/w (XLOGP3) : 3.040 |
| Log Po/w (WLOGP) : 2.330 |
| Log Po/w (MLOGP) : 2.010 |
| Log Po/w (SILICOS-IT) : 2.310 |
| Consensus Log Po/w : 2.410 |

