2,8-Dihydroxy-7-methoxy-6-methyl-naphthalene-1-carbaldehyde
PubChem CID: 11276313
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| Compound Synonyms | hibicuslide C, 2,8-dihydroxy-7-methoxy-6-methyl-naphthalene-1-carbaldehyde, 2,8-dihydroxy-7-methoxy-6-methylnaphthalene-1-carbaldehyde |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,8-dihydroxy-7-methoxy-6-methylnaphthalene-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C13H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SITNBMVOMZOXOP-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -2.011 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.723 |
| Compound Name | 2,8-Dihydroxy-7-methoxy-6-methyl-naphthalene-1-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 232.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.353451117647058 |
| Inchi | InChI=1S/C13H12O4/c1-7-5-8-3-4-10(15)9(6-14)11(8)12(16)13(7)17-2/h3-6,15-16H,1-2H3 |
| Smiles | CC1=CC2=C(C(=C(C=C2)O)C=O)C(=C1OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Taiwanensis (Plant) Rel Props:Source_db:cmaup_ingredients