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6-Hydroxy-2-(2-phenylethyl)chromone

PubChem CID: 5318315

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Compound Synonyms 84294-90-6, 6-hydroxy-2-(2-phenylethyl)chromone, 6-Hydroxy-2-phenethylchromone, 2-Phenethyl-6-hydroxychromone, 6-hydroxy-2-(2-phenylethyl)chromen-4-one, 6-hydroxy-2-phenethyl-4H-chromen-4-one, 6-Hydroxy-2-(2-phenylethyl) chromone, CHEMBL358544, DTXSID101346092, HY-N8142, AKOS040760236, 6-HYDROXY-2-PHENETHYL CHROMONE, FS-7245, DA-70304, CS-0140195, E88812, Q63398953
Topological Polar Surface Area 46.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 382.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P03372, Q92731
Iupac Name 6-hydroxy-2-(2-phenylethyl)chromen-4-one
Prediction Hob 1.0
Xlogp 4.2
Molecular Formula C17H14O3
Prediction Swissadme 0.0
Inchi Key QIYUDFMVCDXKBQ-UHFFFAOYSA-N
Fcsp3 0.1176470588235294
Logs -3.465
Rotatable Bond Count 3.0
Logd 3.236
Compound Name 6-Hydroxy-2-(2-phenylethyl)chromone
Prediction Hob Swissadme 0.0
Exact Mass 266.094
Formal Charge 0.0
Monoisotopic Mass 266.094
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 266.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.5419352
Inchi InChI=1S/C17H14O3/c18-13-7-9-17-15(10-13)16(19)11-14(20-17)8-6-12-4-2-1-3-5-12/h1-5,7,9-11,18H,6,8H2
Smiles C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3)O
Nring 3.0
Defined Bond Stereocenter Count 0.0