This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(3Z,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one

PubChem CID: 101681940

Connections displayed (default: 10).
Loading graph...

Topological Polar Surface Area 85.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 518.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (3Z,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
Prediction Hob 1.0
Xlogp 3.2
Molecular Formula C20H20O6
Prediction Swissadme 0.0
Inchi Key RJVKWKAOIHNOQD-QDECMSLZSA-N
Fcsp3 0.25
Logs -4.09
Rotatable Bond Count 5.0
Logd 3.28
Compound Name (3Z,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxolan-2-one
Prediction Hob Swissadme 0.0
Exact Mass 356.126
Formal Charge 0.0
Monoisotopic Mass 356.126
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 356.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Esol -4.089657261538462
Inchi InChI=1S/C20H20O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,8-10,14,21-22H,7,11H2,1-2H3/b15-8-/t14-/m0/s1
Smiles COC1=C(C=CC(=C1)C[C@H]\2COC(=O)/C2=C\C3=CC(=C(C=C3)O)OC)O
Nring 3.0
Defined Bond Stereocenter Count 1.0