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Terphenyllin

PubChem CID: 100437

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Compound Synonyms Terphenyllin, 52452-60-5, CHEBI:67537, JSR23Q1DOZ, [1,1':4',1''-Terphenyl]-2',4,4''-triol, 3',6'-dimethoxy-, 2,5-bis(4-hydroxyphenyl)-3,6-dimethoxyphenol, UNII-JSR23Q1DOZ, NSC 299114, NSC-299114, DTXSID50200452, (1,1':4',1''-Terphenyl)-2',4,4''-triol, 3',6'-dimethoxy-, 1,4-DIMETHOXY-2,4',4''-TRIHYDROXY-P-TERPHENYL, 3',6'-dimethoxy-1,1':4',1''-terphenyl-2',4,4''-triol, 3',6'-dimethoxy-[1,1':4',1''-terphenyl]-2',4,4''-triol, 3',6'-DIMETHOXY(1,1':4',1''-TERPHENYL)-2',4,4''-TRIOL, MFCD08274598, CHEMBL1795466, DTXCID50122943, BDBM50457916, NSC299114, AKOS030213226, DA-78332, HY-119821, CS-0078073, NS00097196, G13461, 2,5-bis(4-hydroxyphenyl)-3,6-dimethoxy-phenol, Q27136006, [1,1''-Terphenyl]-2',4,4''-triol, 3',6'-dimethoxy-, [1,1':4',1''-Terphenyl]-2',4,4''-triol,3',6'-dimethoxy-, (1,1':4',1''-Terphenyl)-2',4,4''-triol, 3',6'-dimethoxy-(9CI)
Topological Polar Surface Area 79.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 401.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id Q2M2H8
Iupac Name 2,5-bis(4-hydroxyphenyl)-3,6-dimethoxyphenol
Prediction Hob 1.0
Xlogp 4.1
Molecular Formula C20H18O5
Prediction Swissadme 0.0
Inchi Key YNEMPXKRLPZFAX-UHFFFAOYSA-N
Fcsp3 0.1
Logs -3.76
Rotatable Bond Count 4.0
Logd 3.231
Compound Name Terphenyllin
Prediction Hob Swissadme 0.0
Exact Mass 338.115
Formal Charge 0.0
Monoisotopic Mass 338.115
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 338.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.758125799999999
Inchi InChI=1S/C20H18O5/c1-24-17-11-16(12-3-7-14(21)8-4-12)20(25-2)19(23)18(17)13-5-9-15(22)10-6-13/h3-11,21-23H,1-2H3
Smiles COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC=C(C=C3)O
Nring 3.0
Defined Bond Stereocenter Count 0.0