Dehydrodiisoeugenol
PubChem CID: 5379033
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| Compound Synonyms | Dehydrodiisoeugenol, 2680-81-1, Diisoeugenol, dehydro-, Isoeugenol, dehydrodi-, LICARIN A, NSC 16743, bmse010228, 4-[(2R,3R)-2,3-Dihydro-7-methoxy-3-methyl-5-[(E)-1-propenyl]benzofuran-2-yl]-2-methoxyphenol, Phenol, 4-(2,3-dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuranyl)-2-methoxy-, 83377-50-8, 2-Methoxy-4-(7-methoxy-3-methyl-5-(prop-1-en-1-yl)-2,3-dihydrobenzofuran-2-yl)phenol, 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrobenzofuran-2-yl]phenol, Phenol, 4-(2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-2-benzofuranyl)-2-methoxy-, Phenol, 4-[2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-2-benzofuranyl]-2-methoxy-, AC1NTDZA, 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol, 2-methoxy-4-(7-methoxy-3-methyl-5-((E)-prop-1-enyl)-2,3-dihydrobenzofuran-2-yl)phenol, MFCD13194820, DEHRODIISOEUGENOL, Dehydrodiisoeugenol (Standard), SCHEMBL2871103, CHEMBL2442730, HY-N0589R, ITDOFWOJEDZPCF-AATRIKPKSA-N, 23518-30-1, EX-A4978, HY-N0589, s9098, AKOS030530346, CCG-223449, AC-34580, FD145225, MS-24875, CS-0009602, 2-Methoxy-4-(7-methoxy-3-methyl-5-propenyl-2,3-dihydrobenzofuran-2-yl) phenol, Phenol, 4-(2,3-dihydro-7-methoxy-3-methyl-5-(1-propenyl)-2-benzofuranyl)-2-methoxy-(9CI), Phenol, 4-(2,3-dihydro-7-methoxy-3-methyl-5-propenyl-2-benzofuranyl)-2-methoxy-(8CI), 2-Methoxy-4-(7-methoxy-3-methyl-5-[(1E)-1-propenyl]-2,3-dihydro-1-benzofuran-2-yl)phenol # |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 437.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-4-[7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C20H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ITDOFWOJEDZPCF-AATRIKPKSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.084 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.597 |
| Compound Name | Dehydrodiisoeugenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 326.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.7290304 |
| Inchi | InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+ |
| Smiles | C/C=C/C1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all