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3-Methoxy-5-(2-phenylethyl)phenol

PubChem CID: 636980

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Compound Synonyms 17635-59-5, Phenol, 3-methoxy-5-(2-phenylethyl)-, Dihydropinosylvin methyl ether, 3-methoxy-5-(2-phenylethyl)phenol, Dihydropinosylvin monomethyl ether, 3-O-Methyldihydropinosylvin, 5-Methoxy-bibenzyl-3-ol, 3-Methoxy-5-phenethyl-phenol, Phenol, 3-methoxy-5-phenethyl-, DTXSID80170114, 3-methoxy-5-phenethylphenol, Dihydropinosylvin monomethyl ether, Pinosylvin, dihydro-, methyl ether, Dihydropinosylvinmethylether, CHEMBL389172, dihydropinosylvin monomethylether, DTXCID6092605, SCHEMBL11504762, HY-N3754, EX-A11041, AKOS015999030, FS-10487, CS-0024160, EN300-313233, Dihydropinosylvin monomethyl ether, >=97.0% (HPLC)
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 211.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 3-methoxy-5-(2-phenylethyl)phenol
Prediction Hob 1.0
Xlogp 3.8
Molecular Formula C15H16O2
Prediction Swissadme 0.0
Inchi Key HPEFWCAKFRCLBD-UHFFFAOYSA-N
Fcsp3 0.2
Logs -3.718
Rotatable Bond Count 4.0
Logd 3.698
Compound Name 3-Methoxy-5-(2-phenylethyl)phenol
Prediction Hob Swissadme 0.0
Exact Mass 228.115
Formal Charge 0.0
Monoisotopic Mass 228.115
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 228.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.8762571411764704
Inchi InChI=1S/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3
Smiles COC1=CC(=CC(=C1)O)CCC2=CC=CC=C2
Nring 2.0
Defined Bond Stereocenter Count 0.0