4-[(2R)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-2-yl]phenol
PubChem CID: 44445076
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL263832 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(2R)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-2-yl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JMZFKVHPHJWAFE-MRXNPFEDSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.278 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.652 |
| Compound Name | 4-[(2R)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-2-yl]phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 270.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 270.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2157336 |
| Inchi | InChI=1S/C17H18O3/c1-11-15(19-2)9-5-13-6-10-16(20-17(11)13)12-3-7-14(18)8-4-12/h3-5,7-9,16,18H,6,10H2,1-2H3/t16-/m1/s1 |
| Smiles | CC1=C(C=CC2=C1O[C@H](CC2)C3=CC=C(C=C3)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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