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(+/-)-Dihydroguaiaretic acid

PubChem CID: 12898412

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Compound Synonyms (+/-)-Dihydroguaiaretic acid, (+)-Dihydroguaiaretic acid, 121209-88-9, Dihydroguaiaretic acid, (+)-, 7LDG4N771R, 5WX8O8A2DR, UNII-7LDG4N771R, Dihydroguaiaretic acid, (+/-)-, 4-[(2S,3S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol, Phenol, 4,4'-((2S,3S)-2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, (S-(R*,R*))-, 174291-55-5, Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, (R*,R*)-, Phenol, 4,4'-(2,3-dimethyl-1,4-butanediyl)bis(2-methoxy-, (R*,R*)-(+/-)-, UNII-5WX8O8A2DR, CHEMBL3810128, (R*,R*)-(+/-)-4,4'-(2,3-dimethyl-1,4-butanediyl)bis[2-methoxyphenol
Topological Polar Surface Area 58.9
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 328.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id n.a.
Iupac Name 4-[(2S,3S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Prediction Hob 1.0
Xlogp 5.0
Molecular Formula C20H26O4
Prediction Swissadme 1.0
Inchi Key ADFOLUXMYYCTRR-KBPBESRZSA-N
Fcsp3 0.4
Logs -4.26
Rotatable Bond Count 7.0
Logd 3.98
Compound Name (+/-)-Dihydroguaiaretic acid
Prediction Hob Swissadme 1.0
Exact Mass 330.183
Formal Charge 0.0
Monoisotopic Mass 330.183
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 330.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -4.9214288
Inchi InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m0/s1
Smiles C[C@@H](CC1=CC(=C(C=C1)O)OC)[C@@H](C)CC2=CC(=C(C=C2)O)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0