1,7-Bis(4-hydroxyphenyl)heptan-3-one
PubChem CID: 14608480
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| Compound Synonyms | Acerogenin G, 130233-83-9, 1,7-bis(4-hydroxyphenyl)heptan-3-one, 1,7-bis(4-hydroxyphenyl)-3-heptanone, CHEBI:70700, AcerogeninG, MEGxp0_000310, CHEMBL1270258, ACon1_001183, HY-N9240, EX-A10328, AKOS040761305, 1,7-bis-(4-hydroxyphenyl)-3-heptanone, NCGC00169598-01, Acerogenin G, >=95% (LC/MS-ELSD), DA-60714, CS-0159039, BRD-K55160318-001-01-6, Q27139031, UR0 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-bis(4-hydroxyphenyl)heptan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QUHYUSAHBDACNG-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.224 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.122 |
| Compound Name | 1,7-Bis(4-hydroxyphenyl)heptan-3-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.035204763636363 |
| Inchi | InChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,21-22H,1-4,7,10H2 |
| Smiles | C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all