Methyl 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carboxylate
PubChem CID: 71726176
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL2386316 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FEOZGAGVOUZGSU-UHFFFAOYSA-N |
| Fcsp3 | 0.3125 |
| Logs | -4.024 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.623 |
| Compound Name | Methyl 2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 274.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4595592 |
| Inchi | InChI=1S/C16H18O4/c1-8(2)10-6-14(18)15(16(19)20-4)12-7-13(17)9(3)5-11(10)12/h5-8,17-18H,1-4H3 |
| Smiles | CC1=CC2=C(C=C1O)C(=C(C=C2C(C)C)O)C(=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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