Ethyl methoxycinnamate
PubChem CID: 5281783
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| Compound Synonyms | 24393-56-4, Ethyl 4-Methoxycinnamate, Ethyl p-methoxycinnamate, 4-Methoxycinnamic Acid Ethyl Ester, 1929-30-2, (E)-Ethyl 3-(4-methoxyphenyl)acrylate, Ethyl 3-(4-methoxyphenyl)acrylate, Ethyl methoxycinnamate, Solaboost SPF, Uvsob B, Ethyl trans-p-methoxycinnamate, ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate, Ethyl (E)-4-methoxycinnamate, ethyl trans-4-methoxycinnamate, Ethyl (E)-p-methoxycinnamate, ethyl (2E)-3-(4-methoxyphenyl)prop-2-enoate, Ethyl 3-(4-methoxyphenyl)-2-propenoate, 4-Methoxy Ethyl Cinnamate, Methyl-p-coumaric acid, ethyl ester, Ethyl (E)-3-(4-methoxyphenyl)-2-propenoate, SD418S06XD, 3-(4-Methoxyphenyl)-2-propenoic acid, ethyl ester, 2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, Ethyl (E)-3-(p-methoxyphenyl)-2-propenoate, EINECS 217-679-6, 3-(Methoxyphenyl)-2-propenoic acid, ethyl ester, ethyl (E)-3-(4-methoxyphenyl)acrylate, (2E)-3-(4-Methoxyphenyl)-2-propenoic acid ethyl ester, AI3-05527, 2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (E)-, DTXSID401308962, (E)-Ethyl p-methoxycinnamate, NSC 26462, NSC 44831, NSC636698, MFCD00026906, UNII-SD418S06XD, p-Methoxycinnamic acid ethyl ester, 2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (2E)-, SCHEMBL15190, (e)-ethyl-p-methoxycinnamate, CHEMBL95956, HY-N0346AR, SCHEMBL1056347, DTXCID80909204, Ethyl3-(4-methoxyphenyl)acrylate, CHEBI:228868, HMS3886P22, BDBM50486903, ETHYL METHOXYCINNAMATE [INCI], s9350, AKOS005070817, CCG-266623, FE70556, NSC-636698, (E)-Ethyl p-methoxycinnamate (Standard), p-Coumaric acid methyl ether ethyl ester, trans-4-Methoxycinnamic acid ethyl ester, AC-29413, 3-(4-Methoxyphenyl)acrylic Acid Ethyl Ester, M1204, NS00045699, 3-(4-methoxy-phenyl)-acrylic acid ethyl ester, Ethyl (2E)-3-(4-methoxyphenyl)-2-propenoate, EN300-1453807, 6Z-0282, AK-693/41507040, Ethyl trans-4-methoxycinnamate, analytical standard, Q27289147, Z53833826, (E)-3-(4-Methoxyphenyl)-2-propenoic acid ethyl ester, 51507-22-3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | CCOC=O)/C=C/cccccc6))OC |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Cinnamic acids and derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cinnamic acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P07265 |
| Iupac Name | ethyl (E)-3-(4-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Class | Cinnamic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.0 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Cinnamic acid esters |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H14O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DHNGCHLFKUPGPX-RMKNXTFCSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.25 |
| Logs | -3.673 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 3.193 |
| Synonyms | Ethyl p-methoxycinnamate, Ethyl p-methoxycinnamic acid, Ethyl trans-p-methoxycinnamic acid, p-Methoxycinnamate ethyl ester, (e)-Ethyl-p-methoxycinnamate, Ethyl (2E)-3-(4-methoxyphenyl)-2-propenoate, Octinoxate, Ethyl 4-methoxycinnamate, ethyl p-methoxy-trans-cinnamate, ethyl p-methoxycinnamate, ethyl-p-methoxy cinnamate, ethyl-p-methoxy-trans-cinnamate, ethyl-p-methoxycinnamate, ethyl-para-methoxycinnamate, ethylcinnamate,trans-,p-methoxy, p-methoxycinnamic-acid-ethyl-ester, p-methoxycinnamte |
| Esol Class | Soluble |
| Functional Groups | c/C=C/C(=O)OC, cOC |
| Compound Name | Ethyl methoxycinnamate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 206.24 |
| 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 | -3.0691941999999997 |
| Inchi | InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+ |
| Smiles | CCOC(=O)/C=C/C1=CC=C(C=C1)OC |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cinnamic acid esters |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Hedychium Spicatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Reference:ISBN:9788185042138