7-Hydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
PubChem CID: 87867314
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| Compound Synonyms | SCHEMBL5616608, CHEMBL3740333 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NECVQDRSRYKNTM-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -4.014 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.629 |
| Compound Name | 7-Hydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 228.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 228.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9337983176470583 |
| Inchi | InChI=1S/C15H16O2/c1-9(2)12-5-4-11(8-16)13-7-15(17)10(3)6-14(12)13/h4-9,17H,1-3H3 |
| Smiles | CC1=CC2=C(C=CC(=C2C=C1O)C=O)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Heterotheca Inuloides (Plant) Rel Props:Source_db:cmaup_ingredients