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(-)-(R)-2'-Methoxydihydroartemidin

PubChem CID: 44566647

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Compound Synonyms 653597-73-0, 3-[(2R)-2-Methoxybutyl]-1H-2-benzopyran-1-one, 3-[(2R)-2-METHOXYBUTYL]ISOCHROMEN-1-ONE, 3-((2R)-2-methoxybutyl)isochromen-1-one, CHEMBL463082, DTXSID40659516, (-)-(R)-2'-methoxydihydroartemidin
Topological Polar Surface Area 35.5
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 309.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name 3-[(2R)-2-methoxybutyl]isochromen-1-one
Prediction Hob 1.0
Xlogp 3.0
Molecular Formula C14H16O3
Prediction Swissadme 1.0
Inchi Key JVPBEOSSMYEDID-LLVKDONJSA-N
Fcsp3 0.3571428571428571
Logs -3.642
Rotatable Bond Count 4.0
Logd 2.78
Compound Name (-)-(R)-2'-Methoxydihydroartemidin
Prediction Hob Swissadme 1.0
Exact Mass 232.11
Formal Charge 0.0
Monoisotopic Mass 232.11
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 232.27
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -2.610623917647059
Inchi InChI=1S/C14H16O3/c1-3-11(16-2)9-12-8-10-6-4-5-7-13(10)14(15)17-12/h4-8,11H,3,9H2,1-2H3/t11-/m1/s1
Smiles CC[C@H](CC1=CC2=CC=CC=C2C(=O)O1)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0