2,7-Dihydroxycadalene
PubChem CID: 157057
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| Compound Synonyms | 2,7-dihydroxycadalene, 2,7-Naphthalenediol, 1,6-dimethyl-4-(1-methylethyl)-, UNII-H23201Y25U, H23201Y25U, 77401-25-3, DTXSID30228114, 1,6-dimethyl-4-propan-2-ylnaphthalene-2,7-diol, SCHEMBL7610050, CHEMBL2386325, DTXCID50150605, Q27279534 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 264.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dimethyl-4-propan-2-ylnaphthalene-2,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OKOXDXHTJZNGOM-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.485 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.773 |
| Compound Name | 2,7-Dihydroxycadalene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 230.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 230.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.358797517647059 |
| Inchi | InChI=1S/C15H18O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5-8,16-17H,1-4H3 |
| Smiles | CC1=CC2=C(C=C1O)C(=C(C=C2C(C)C)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all