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3-Hydroxyterphenyllin

PubChem CID: 191796

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Compound Synonyms 3-Hydroxyterphenyllin, 66163-76-6, CHEBI:67536, UNII-VEZ2NX1645, VEZ2NX1645, 3',6'-Dimethoxy-(1,1':4',1''-terphenyl)-2',3,4,4''-tetrol, NSC 299113, NSC-299113, CHEMBL1795465, DTXSID70216353, [1,1':4',1''-Terphenyl]-2',3,4,4''-tetrol,3',6'-dimethoxy-, 4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]benzene-1,2-diol, 3',6'-dimethoxy-1,1':4',1''-terphenyl-2',3,4,4''-tetrol, 3',6'-dimethoxy-[1,1':4',1''-terphenyl]-2',3,4,4''-tetrol, (1,1':4',1''-TERPHENYL)-2',3,4,4''-TETROL, 3',6'-DIMETHOXY-, [1,1':4',1''-Terphenyl]-2',3,4,4''-tetrol, 3',6'-dimethoxy-, 4-(2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl)benzene-1,2-diol, Hydroxyterphenyllin, 3-OH-Terphenyllin, 3 HYDROXYTERPHENYLLIN, TERPHENYLLIN, HYDROXY, DTXCID70138844, RCA16376, BDBM50457917, HY-N10268, NSC299113, AKOS030213164, BS-1309, PD069568, CS-0371972, Q27136005, 3',6'-Dimethoxy-[1,1':4',1''-terphenyl]-2',3,4,4''-tetraol, 4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxy-phenyl]benzene-1,2-diol
Topological Polar Surface Area 99.4
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 438.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q2M2H8
Iupac Name 4-[2-hydroxy-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]benzene-1,2-diol
Prediction Hob 1.0
Xlogp 3.7
Molecular Formula C20H18O6
Prediction Swissadme 0.0
Inchi Key YLSPFNUVVOKJDF-UHFFFAOYSA-N
Fcsp3 0.1
Logs -3.699
Rotatable Bond Count 4.0
Logd 2.932
Compound Name 3-Hydroxyterphenyllin
Prediction Hob Swissadme 0.0
Exact Mass 354.11
Formal Charge 0.0
Monoisotopic Mass 354.11
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 354.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.616327292307692
Inchi InChI=1S/C20H18O6/c1-25-17-10-14(11-3-6-13(21)7-4-11)20(26-2)19(24)18(17)12-5-8-15(22)16(23)9-12/h3-10,21-24H,1-2H3
Smiles COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC(=C(C=C3)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0