This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

trans-4-Methoxycinnamic acid

PubChem CID: 699414

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms 4-Methoxycinnamic acid, 830-09-1, 943-89-5, 3-(4-methoxyphenyl)acrylic acid, (E)-3-(4-Methoxyphenyl)acrylic acid, P-METHOXYCINNAMIC ACID, trans-4-Methoxycinnamic acid, (E)-3-(4-methoxyphenyl)prop-2-enoic acid, (2E)-3-(4-methoxyphenyl)prop-2-enoic acid, para-methoxycinnamic acid, 2-Propenoic acid, 3-(4-methoxyphenyl)-, Cinnamic acid, p-methoxy-, 3-(4-Methoxyphenyl)-2-propenoic acid, 4-Methoxycinnamate, MFCD00004398, O-Methyl-p-coumaric acid, 2-Propenoic acid, 3-(4-methoxyphenyl)-, (2E)-, Cinnamic acid, 4-methoxy-, 4-Methoxycinnamic acid, predominantly trans, (E)-3-(4-methoxyphenyl)-2-propenoic acid, Bernel hydro, METHOXYCINNAMIC ACID, PARA, (E)-p-Methoxycinnamic acid, (E)-4-METHOXYCINNAMIC ACID, p-methoxycinnamate, NSC-5303, NSC-623437, CHEMBL95770, 4-Methoxy-(2E)-cinnamic acid, DTXSID1046059, trans-2-Propenoic acid, 3-(4-methoxyphenyl)-, 6G4ML8401A, NCGC00159448-02, (E)-3-(4-Methoxy-phenyl)-acrylic acid, NSC 5303, EINECS 212-594-0, UNII-6G4ML8401A, AI3-23399, 4-Methoxycinnamicacid, 4-Methoxy cinnamic acid, PMCA, P-Methoxy ciannamic acid, trans-3-(4-Methoxyphenyl)acrylic acid, CHEBI:48541, p-MeOCinnamicAcid, K3Z, EINECS 213-405-4, para-methoxycinnamate, 4-Methoxy cinnamate, P-Methoxy ciannamate, O-Methyl-p-coumarate, p-MCA, trans-4-Methoxycinnamate, O-Methyl-p-cumaric Acid, TRANS-3-(4-METHOXYPHENYL)-2-PROPENOIC ACID, bmse010212, trans-4-methoxycinnamic-acid, 2-Propenoic acid, 3-(4-methoxyphenyl)-, (E)-, SCHEMBL58699, (E)-p-Methoxy-cinnamic acid, 30-09-1, MLS002473129, trans-4-methoxy-cinnamic acid, 4-Methoxycinnamic acid, trans-, 3-(4-Methoxy-phenyl)-acrylate, DTXCID9026059, AFDXODALSZRGIH-QPJJXVBHSA-, NSC5303, CHEBI:143736, HMS1783A08, HMS2267B19, (E)-3-(4-Methoxyphenyl)acrylate, 3-(4-methoxyphenyl)-2-Propenoate, AAA94389, ALBB-011726, BCP21420, HY-N1387, STR01310, Tox21_111674, BBL012085, BDBM50146453, NSC623437, STK005095, AKOS000118882, FM38609, PS-5777, (E)-3-(4-methoxyphenyl)-acrylic acid, NCGC00159448-03, NCGC00159448-04, AC-10371, CAS-943-89-5, DA-59571, PD061978, SMR000112200, 4-Methoxycinnamic acid, >=98.0% (GC), p-Methoxycinnamic acid, predominantly trans, CS-0016807, M0576, NS00013547, A10220, EN300-312690, G60885, SBI-0635112.0002, (2E)-3-(4-Methoxyphenyl)-2-propenoic acid #, 4-Methoxycinnamic acid, predominantly trans, 99%, A837404, AE-641/00135031, BRD-K26273521-001-07-3, Q63391599, Z56931888, F1638-0067, 0C546A89-9721-4B4E-89EE-7EC28A9A3391, InChI=1/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 46.5
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Cinnamic acids and derivatives
Deep Smiles COcccccc6))/C=C/C=O)O
Heavy Atom Count 13.0
Classyfire Class Cinnamic acids and derivatives
Description Esters of p-methoxycinnamic acid are among the popular UV-B screening compounds used in various cosmetic formulations in sunscreen products. trans-p-Methoxycinnamic acid is found in wild celery and turmeric.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Cinnamic acids
Isotope Atom Count 0.0
Molecular Complexity 190.0
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, O42713, P10828, Q13315, Q96KQ7, Q8TDS4, Q63470, O75496, P07265, Q9NUW8, Q13148, P27695, P00918, Q16790, n.a., P59534, P0DTD1
Iupac Name (E)-3-(4-methoxyphenyl)prop-2-enoic acid
Prediction Hob 1.0
Class Cinnamic acids and derivatives
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT46, NPT524, NPT233, NPT948
Xlogp 1.8
Superclass Phenylpropanoids and polyketides
Subclass Cinnamic acids
Gsk 4 400 Rule True
Molecular Formula C10H10O3
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key AFDXODALSZRGIH-QPJJXVBHSA-N
Silicos It Class Soluble
Fcsp3 0.1
Logs -2.964
Rotatable Bond Count 3.0
State Solid
Logd 1.63
Synonyms (2E)-3-(4-Methoxyphenyl)-2-propenoic acid, (2E)-3-(4-methoxyphenyl)prop-2-enoic acid, (E)-3-(4-Methoxy-phenyl)-acrylic acid, (E)-3-(4-Methoxyphenyl)acrylate, (E)-3-(4-Methoxyphenyl)acrylic acid, (E)-p-Methoxycinnamic acid, 3-(4-Methoxy-phenyl)-acrylate, 3-(4-Methoxy-phenyl)-acrylic acid, 3-(4-Methoxyphenyl)-2-propenoate, 3-(4-Methoxyphenyl)-2-propenoic acid, 3-(4-Methoxyphenyl)-2-propenoic acid, 9CI, 3-(4-Methoxyphenyl)acrylate, 3-(4-methoxyphenyl)acrylic acid, 3-(4-methoxyphenyl)prop-2-enoic acid, 4-Methoxy cinnamate, 4-Methoxy cinnamic acid, 4-Methoxycinnamate, 4-Methoxycinnamic acid, O-Methyl-p-coumarate, O-Methyl-p-coumaric acid, p-Hydroxy methyl cinnamate, P-Methoxy ciannamate, P-Methoxy ciannamic acid, p-Methoxycinnamate, p-Methoxycinnamic acid, para-Methoxycinnamate, para-Methoxycinnamic acid, trans-2-Propenoic acid, 3-(4-methoxyphenyl)-, trans-3-(4-Methoxyphenyl)acrylic acid, trans-4-Methoxycinnamate, trans-4-Methoxycinnamic acid, trans-p-Methoxycinnamic acid, 3-(4-Methoxyphenyl)acrylic acid, Para-methoxycinnamic acid, Para-methoxycinnamate, (e)-3-(4-Methoxyphenyl)acrylate, (e)-3-(4-Methoxyphenyl)acrylic acid, O-Methyl-P-coumarate, O-Methyl-P-coumaric acid, P-Hydroxy methyl cinnamate, P-Methoxycinnamate, P-Methoxycinnamic acid, 4-Methoxycinnamate, aluminum salt, 4-Methoxycinnamate, (e)-isomer, 4-Methoxycinnamate, (Z)-isomer, 4-Methoxycinnamate, zinc salt, 4-Methoxycinnamate, zirconium salt, e-P-Methoxycinnamic acid, 4-Methoxycinnamate, calcium salt, 4-Methoxycinnamate, magnesium salt, 4-Methoxycinnamate, potassium salt, 4-Methoxycinnamate, sodium salt, (2E)-3-(4-Methoxyphenyl)prop-2-enoate, (E)-3-(4-Methoxyphenyl)-2-propenoic acid, (E)-4-Methoxycinnamic acid, 3-(4-Methoxyphenyl)propenoic acid, 4'-Methoxycinnamic acid, 4-Methyoxycinnamic acid, 4’-Methoxycinnamic acid, trans-3-(4-Methoxyphenyl)-2-propenoic acid, trans-p-Methoxycinnamate, p-methoxy cinnamic acid, p-methoxycinnamate, p-methoxycinnamic acid
Substituent Name Cinnamic acid, Phenylpropene, Methoxybenzene, Styrene, Phenol ether, Anisole, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Monocarboxylic acid or derivatives, Ether, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound
Esol Class Soluble
Functional Groups c/C=C/C(=O)O, cOC
Compound Name trans-4-Methoxycinnamic acid
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 178.063
Formal Charge 0.0
Monoisotopic Mass 178.063
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 178.18
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 -2.776697861538462
Inchi InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
Smiles COC1=CC=C(C=C1)/C=C/C(=O)O
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Cinnamic acids
Np Classifier Superclass Phenylpropanoids (C6-C3)

  • 1. Outgoing r'ship FOUND_IN to/from Adiantum Capillus-Veneris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Asplenium Adiantum-Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Curcuma Aromatica (Plant) Rel Props:Reference:ISBN:9788172362140
  • 10. Outgoing r'ship FOUND_IN to/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Curcuma Zedoaria (Plant) Rel Props:Reference:ISBN:9788172362140
  • 12. Outgoing r'ship FOUND_IN to/from Diploknema Butyracea (Plant) Rel Props:Source_db:npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Distemonanthus Benthamianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Equisetum Hyemale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Fraxinus Quadrangulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Gmelina Asiatica (Plant) Rel Props:Reference:ISBN:9770972795006
  • 17. Outgoing r'ship FOUND_IN to/from Goniothalamus Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Jacobaea Maritima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Kaempferia Galanga (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362140
  • 22. Outgoing r'ship FOUND_IN to/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Scrophularia Buergeriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
Back to Browse   Back to Home