2,7-Dihydroxy-4-isopropyl-6-methylnaphthalene-1-carbaldehyde
PubChem CID: 71726175
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL2386315, 2,7-Dihydroxy-4-isopropyl-6-methylnaphthalene-1-carbaldehyde |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C15H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GBYIRCXHWOBGHE-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.972 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.385 |
| Compound Name | 2,7-Dihydroxy-4-isopropyl-6-methylnaphthalene-1-carbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.13480911111111 |
| Inchi | InChI=1S/C15H16O3/c1-8(2)10-5-15(18)13(7-16)12-6-14(17)9(3)4-11(10)12/h4-8,17-18H,1-3H3 |
| Smiles | CC1=CC2=C(C=C1O)C(=C(C=C2C(C)C)O)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Alangium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
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