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2,3',4,6-Tetrahydroxybenzophenone

PubChem CID: 440991

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Compound Synonyms 2,3',4,6-Tetrahydroxybenzophenone, 26271-33-0, (3-hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone, (3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone, 2,4,6,3'-Tetrahydroxybenzophenone, Methanone, (3-hydroxyphenyl)(2,4,6-trihydroxyphenyl)-, CHEBI:15718, C06355, CHEMBL445711, SCHEMBL2315545, DTXSID50331553, BBA27133, HY-N1651, 2,4,5',6-Tetrahydroxybenzophenone, AKOS015999023, BS-49675, DB-329547, CS-0017313, E76138, 2-(3-HYDROXYBENZOYL)BENZENE-1,3,5-TRIOL, Q27098205
Topological Polar Surface Area 98.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 294.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Prediction Hob 1.0
Xlogp 2.4
Molecular Formula C13H10O5
Prediction Swissadme 0.0
Inchi Key QWRYPHZJTWQLFX-UHFFFAOYSA-N
Fcsp3 0.0
Logs -2.926
Rotatable Bond Count 2.0
Logd 2.335
Compound Name 2,3',4,6-Tetrahydroxybenzophenone
Prediction Hob Swissadme 0.0
Exact Mass 246.053
Formal Charge 0.0
Monoisotopic Mass 246.053
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 246.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.2335849333333333
Inchi InChI=1S/C13H10O5/c14-8-3-1-2-7(4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
Smiles C1=CC(=CC(=C1)O)C(=O)C2=C(C=C(C=C2O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0