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2-Methoxy-4-vinylphenol

PubChem CID: 332

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Compound Synonyms 2-Methoxy-4-vinylphenol, 7786-61-0, 4-vinylguaiacol, p-Vinylguaiacol, 4-Hydroxy-3-methoxystyrene, 4-ETHENYL-2-METHOXYPHENOL, Phenol, 4-ethenyl-2-methoxy-, o-methoxy-p-vinylphenol, para-vinylguaiacol, Guaiacol, 4-vinyl-, p-Vinyl guaiacol, 4-vinyl-2-methoxyphenol, Phenol, 2-methoxy-4-vinyl-, 4-Hydroxy-3-methoxyvinylbenzene, FEMA No. 2675, 3-Methoxy-4-hydroxystyrene, Varamol 106, CCRIS 548, CHEBI:42438, 2-METHOXY-4-VINYL-PHENOL, Vinylcatechol-O-methyl ether, P-, UNII-DA069CTH0O, EINECS 232-101-2, 2M4VP, DA069CTH0O, Guaiacol, 4-vinyl, BRN 2044521, 4-hydroxy-3-methoxyphenylethene, DTXSID7052529, 2-(4-hydroxy-3-methoxyphenyl)ethene, 2-Methoxy-4-ethenylphenol, Phenol, 2-methoxy-4-ethenyl, Phenol, 4-vinyl, 2-methoxy, CHEMBL1232595, DTXCID8031102, (4-Hydroxy-3-methoxyphenyl)ethene, 3-06-00-04981 (Beilstein Handbook Reference), 4-vinyl guaiacol, EUG, Vinyl guaiacol, p-Vinyl guaicol, 4-vinylguaiacole, 4-Ethenylguaiacol, MFCD00015437, 4-Vinyl-O-guaiacol, 2-Methoxy-vinylphenol, 31853-85-7, 2-Metoxy-4-vinyl-phenol, bmse010071, 4-ethenyl-2-methoxy-phenol, SCHEMBL54199, BCP27800, HY-W019940R, 2-Methoxy-4-vinylphenol (Standard), Tox21_304024, BDBM50548720, AKOS015890494, DB03514, FM35629, FS-3782, HY-W019940, 2-methoxy-4-vinylphenol (vinylguaiacol), 2-METHOXY-4-VINYLPHENOL [FHFI], 2-Methoxy-4-vinylphenol, >=98%, FG, NCGC00357234-01, Vinylguaiacol (4-vinyl-2-methoxyphenol), BP-11167, PD006849, CAS-7786-61-0, 2-Methoxy-4-vinylphenol (4-vinylguaiacol), 4-Vinyl-2-methoxyphenol (4-vinylguaiacol), DB-003488, 2-Methoxy-4-vinylphenol, analytical standard, 4-Vinyl-2-methoxyphenol ( p-vinylguaiacol), CS-0031749, NS00005168, C17883, EN300-1832370, Q4596898, 2-METHOXY-4-VINYLPHENOL (STABILIZED WITH TBC), 232-101-2, 4M4
Ghose Rule False
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 COcccC=C))ccc6O
Heavy Atom Count 11.0
Classyfire Class Phenols
Description Responsible for off-flavour of 'old fruit' in stored orange juice 2-Methoxy-4-vinylphenol is an aromatic substance allowed to be used as a flavouring agents. It is one of the compounds responsible for the natural aroma of buckwheat. Some insects like Rhynchophorus ferrugineus (Red palm weevil), use this substance for chemical signaling (pheromones). 2-Methoxy-4-vinylphenol is found in many foods, some of which are asparagus, coffee, sweet orange, and wild carrot.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Methoxyphenols
Isotope Atom Count 0.0
Molecular Complexity 134.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P22309, P0DMM9, O75762
Iupac Name 4-ethenyl-2-methoxyphenol
Prediction Hob 1.0
Class Benzene and substituted derivatives
Veber Rule True
Classyfire Superclass Benzenoids
Target Id NPT346
Xlogp 2.4
Superclass Benzenoids
Subclass Phenols and derivatives
Gsk 4 400 Rule True
Molecular Formula C9H10O2
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key YOMSJEATGXXYPX-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.1111111111111111
Logs -2.071
Rotatable Bond Count 2.0
Logd 2.253
Synonyms 2-(4-Hydroxy-3-methoxyphenyl)ethene, 2-Methoxy-4-Vinyl-Phenol, 2-Methoxy-4-vinylphenol, 2-Methoxy-4-vinylphenol (4-vinylguaiacol), 2-Methoxy-4-vinylphenol (vinylguaiacol), 2-Methoxy-vinylphenol, 2-metoxy-4-vinyl-phenol, 2m4VP, 4-Ethenyl-2-methoxy-phenol, 4-Ethenyl-2-methoxyphenol, 4-Ethenylguaiacol, 4-Hydroxy-3-methoxyphenylethene, 4-Hydroxy-3-methoxystyrene, 4-Hydroxy-3-methoxyvinylbenzene, 4-Vinyl guaiacol, 4-vinyl-2-methoxyphenol, 4-Vinyl-2-methoxyphenol ( P-vinylguaiacol), 4-Vinyl-2-methoxyphenol (4-vinylguaiacol), 4-Vinyl-O-guaiacol, 4-Vinylguaiacol, 4-Vinylguaiacole, EUG, Guaiacol, 4-vinyl, Hesperetol, O-methoxy-p-vinylphenol, P-vinyl guaiacol, P-vinyl guaicol, P-vinylguaiacol, Para-vinylguaiacol, Phenol, 2-methoxy-4-ethenyl, Phenol, 4-ethenyl-2-methoxy-, Phenol, 4-vinyl, 2-methoxy, Vinylcatechol-o-methyl ether, p-, Vinylguaiacol, Vinylguaiacol (4-vinyl-2-methoxyphenol), Vinylguajacol, 4-Vinyl-2-methoxyphenol, O-Methoxy-p-vinylphenol, p-Vinylguaiacol, 2-Methoxy-4-vinyl-phenol, 2-Metoxy-4-vinyl-phenol, P-Vinyl guaicol, 2-methoxy-4- vinylphenol, 2-methoxy-4-vinyl-phenol, 2-methoxy-4-vinylphenol, 2-methoxy-4-vinylphenol (in mixture), 2-methoxγ-4-vinylphenol, 3-methoxy-4-hydroxystyrene, 4-vinyl-2-methoxyphenol, 4-vinyl-guaiacol, 4-vinylguaiacol, 4-vinylguiacol, guaiacol 4-vinyl, guaiacol, 4-vinyl, p-vinyl-guaiacol, p-vinylguaiacol, p-vinylguaicol
Substituent Name Methoxyphenol, Methoxybenzene, Styrene, Phenol ether, Anisole, Alkyl aryl ether, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound
Esol Class Soluble
Functional Groups cC=C, cO, cOC
Compound Name 2-Methoxy-4-vinylphenol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 150.068
Formal Charge 0.0
Monoisotopic Mass 150.068
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 150.17
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.813033763636364
Inchi InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
Smiles COC1=C(C=CC(=C1)C=C)O
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Methoxyphenols
Np Classifier Superclass Phenylpropanoids (C6-C3)

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  • 100. Outgoing r'ship FOUND_IN to/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1630015
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