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3-(4-Methoxyphenyl)-2-propen-1-ol

PubChem CID: 5314180

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Compound Synonyms 3-(4-Methoxyphenyl)-2-propen-1-ol, 17581-85-0, 53484-50-7, 4-Methoxycinnamyl alcohol, 3-(4-methoxyphenyl)prop-2-en-1-ol, p-Methoxycinnamyl alcohol, (E)-3-(4-methoxyphenyl)prop-2-en-1-ol, 3'-Hydroxyanethole, 2-Propen-1-ol, 3-(4-methoxyphenyl)-, (2E)-3-(4-methoxyphenyl)prop-2-en-1-ol, 4-METHOXYCINNAMYLALCOHOL, ghl.PD_Mitscher_leg0.196, (E)-3-(4-Methoxyphenyl)-2-propen-1-ol, (2E)-3-(4-Methoxyphenyl)-2-propen-1-ol, 2-Propen-1-ol, 3-(4-methoxyphenyl)-, (2E)-, NSC-26455, NSC 26455, BRN 1859288, 2-Propen-1-ol, 3-(p-methoxyphenyl)-, MFCD00182606, FSK5U9XVC3, p-Methoxy coumaryl alcohol, 4-methoxy cinnamyl alcohol, bmse010146, 2-Propen-1-ol, 3-(4-methoxyphenyl)-, (E)-, 4-06-00-06333 (Beilstein Handbook Reference), (E)-p-Methoxycinnamyl alcohol, (E)-4-Methoxycinnamyl alcohol, SCHEMBL1278751, SCHEMBL1278753, trans-4-Methoxycinnamyl alcohol, CHEMBL4170861, CHEBI:192128, NYICIIFSBJOBKE-NSCUHMNNSA-N, DTXSID401283792, NSC26455, 3-(p-Methoxyphenyl)-2-Propen-1-ol, AKOS005071069, 3-(4-Methoxyphenyl)-(E)-2-Propen-1-ol, CS-0318412, E76062, 2-Propen-1-ol, 3-(4-methoxyphenyl)- (9CI), EN300-1246898, 7Z-0200
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Cinnamic acids and derivatives
Deep Smiles OC/C=C/cccccc6))OC
Heavy Atom Count 12.0
Classyfire Class Cinnamyl alcohols
Scaffold Graph Node Level C1CCCCC1
Isotope Atom Count 0.0
Molecular Complexity 135.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (E)-3-(4-methoxyphenyl)prop-2-en-1-ol
Prediction Hob 1.0
Class Cinnamyl alcohols
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 2.1
Superclass Phenylpropanoids and polyketides
Gsk 4 400 Rule True
Molecular Formula C10H12O2
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key NYICIIFSBJOBKE-NSCUHMNNSA-N
Silicos It Class Soluble
Fcsp3 0.2
Logs -1.632
Rotatable Bond Count 3.0
State Solid
Logd 1.739
Synonyms (e)-3-(4-Methoxyphenyl)-2-propen-1-ol, 2-Propen-1-ol, 3-(4-methoxyphenyl)- (9ci), 3'-Hydroxyanethole, 3-(4-Methoxyphenyl)-(e)-2-propen-1-ol, 3-(p-Methoxyphenyl)-2-propen-1-ol, 4-Methoxycinnamyl alcohol, Ghl.PD_Mitscher_leg0.196, p-Methoxycinnamyl alcohol, trans-4-Methoxycinnamyl alcohol, p-methoxycinnamyl alcohol
Esol Class Soluble
Functional Groups CO, c/C=C/C, cOC
Compound Name 3-(4-Methoxyphenyl)-2-propen-1-ol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 164.084
Formal Charge 0.0
Monoisotopic Mass 164.084
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 164.2
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.3215648000000004
Inchi InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+
Smiles COC1=CC=C(C=C1)/C=C/CO
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Cinnamyl alcohols
Np Classifier Superclass Phenylpropanoids (C6-C3)