3-Hydroxy-7-methoxy-5-methyl-8-propan-2-ylnaphthalene-2-carbaldehyde
PubChem CID: 5319445
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-7-methoxy-5-methyl-8-propan-2-ylnaphthalene-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C16H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IWGZAWSWEWHCAQ-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -4.82 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.714 |
| Compound Name | 3-Hydroxy-7-methoxy-5-methyl-8-propan-2-ylnaphthalene-2-carbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 258.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 258.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.335739084210527 |
| Inchi | InChI=1S/C16H18O3/c1-9(2)16-13-6-11(8-17)14(18)7-12(13)10(3)5-15(16)19-4/h5-9,18H,1-4H3 |
| Smiles | CC1=CC(=C(C2=C1C=C(C(=C2)C=O)O)C(C)C)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Symplocos Glomerata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ulmus Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients