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2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol

PubChem CID: 12888722

Connections displayed (default: 10).
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Compound Synonyms Batatasin V, 65817-45-0, 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, Phenol, 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-, Batatasin-V, Batatasin V (10), SCHEMBL8703845, CHEMBL3747112, CCENYSCLQOJNIC-UHFFFAOYSA-N, BDBM246492, EX-A6750, 2-(3,4,5-Trimethoxyphenethyl)phenol, AKOS040734572, FS-8403, DA-61499
Topological Polar Surface Area 47.9
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 283.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
Prediction Hob 1.0
Xlogp 3.7
Molecular Formula C17H20O4
Prediction Swissadme 1.0
Inchi Key CCENYSCLQOJNIC-UHFFFAOYSA-N
Fcsp3 0.2941176470588235
Logs -3.445
Rotatable Bond Count 6.0
Logd 3.339
Compound Name 2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol
Prediction Hob Swissadme 1.0
Exact Mass 288.136
Formal Charge 0.0
Monoisotopic Mass 288.136
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 288.34
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.985583742857143
Inchi InChI=1S/C17H20O4/c1-19-15-10-12(11-16(20-2)17(15)21-3)8-9-13-6-4-5-7-14(13)18/h4-7,10-11,18H,8-9H2,1-3H3
Smiles COC1=CC(=CC(=C1OC)OC)CCC2=CC=CC=C2O
Nring 2.0
Defined Bond Stereocenter Count 0.0