1,5-Dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene
PubChem CID: 162855754
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| Topological Polar Surface Area | 36.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 549.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene |
| Prediction Hob | 0.0 |
| Xlogp | 7.9 |
| Molecular Formula | C32H34O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OPEMMZNZWWKQGT-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -7.138 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.46 |
| Compound Name | 1,5-Dimethoxy-2,4-bis[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 482.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 482.246 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 482.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.557677333333334 |
| Inchi | InChI=1S/C32H34O4/c1-33-26-15-10-24(11-16-26)20-29-28(19-14-23-8-6-5-7-9-23)30(32(36-4)22-31(29)35-3)21-25-12-17-27(34-2)18-13-25/h5-13,15-18,22H,14,19-21H2,1-4H3 |
| Smiles | COC1=CC=C(C=C1)CC2=C(C(=C(C=C2OC)OC)CC3=CC=C(C=C3)OC)CCC4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients