5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone
PubChem CID: 125296
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| Compound Synonyms | 128922-70-3, 5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone, 5,8-Dihydroxy-2-(4-methoxyphenethyl)-4H-chromen-4-one, 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one, DTXSID30156004, DPMC, 5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-4H-1-benzopyran-4-one, 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 5,8-dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-, DTXCID6078495, SCHEMBL16983578, 5,8-Dihydroxy-2-[2-(4'-methoxyphenyl) ethyl]chromone |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PCLFEHAPITXKJL-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.098 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.777 |
| Compound Name | 5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7848728086956527 |
| Inchi | InChI=1S/C18H16O5/c1-22-12-5-2-11(3-6-12)4-7-13-10-16(21)17-14(19)8-9-15(20)18(17)23-13/h2-3,5-6,8-10,19-20H,4,7H2,1H3 |
| Smiles | COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients