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.

Cinnamyl cinnamate

PubChem CID: 1550890

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

Compound Synonyms Cinnamyl cinnamate, 122-69-0, Styracin, Phenylallyl cinnamate, Cinnamyl alcohol, cinnamate, 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propen-1-yl ester, 3-Phenylallyl cinnamate, CINNAMIC ACID, CINNAMYL ESTER, FEMA No. 2298, Cinnamyl beta-phenylacrylate, 3-Phenyl-2-propen-1-yl cinnamate, Cinnamyl cinnamate (natural), (E)-cinnamyl (E)-cinnamate, CCRIS 904, NSC 46161, Cinnamylester kyseliny skoricove, 40918-97-6, Cinnamyl cinnamate [MI], Cinnamic Acid Cinnamyl Ester, Cinnamyl cinnamate [FCC], Cinnamyl cinnamate [FHFI], EINECS 204-566-1, Cinnamylester kyseliny skoricove [Czech], AI3-02445, 3-Phenyl-2-propen-1-yl 3-phenylpropenoate, 3-Phenyl-2-propenyl 3-phenyl-2-propenoate, UNII-F1438569N2, [(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate, 3-Phenyl allyl cinnamate, 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester, Cinnamyl cinnamate (E,E)-form [MI], 3-Phenyl-2-propen-1-yl 3-phenylacrylate, Cinnamyl .beta.-phenylacrylate, 3-Phenyl-2-propen-1-yl 3-phenyl propenoate, F1438569N2, NSC-46161, (2E)-3-phenylprop-2-en-1-yl (2E)-3-phenylprop-2-enoate, 2-Propenoic acid, 3-phenyl-, (2E)-3-phenyl-2-propen-1-yl ester, (2E)-, 3-Phenyl-2-propenyl 3-phenyl-2-propenoate #, 3-phenylprop-2-en-1-yl 3-phenylprop-2-enoate, Cinnamyl beta-phenyl acrylate, MFCD00037826, DTXSID7047647, Cinnamylcinnamate, Cinnamyl cinnamic acid, (2E)-3-Phenyl-2-propenyl (2E)-3-phenyl-2-propenoate, (2E)-3-phenylprop-2-en-1-yl (2Z)-3-phenylprop-2-enoate, (E)-Cinnamyl-(E)-Cinnamate, SCHEMBL112365, CHEMBL1095954, DTXCID5027647, 2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester, Cinnamic acid, cinnamyl este, CHEBI:186898, CINNAIC ACID CINNAMYL ESTER, AAA12269, HY-N3588, Tox21_302485, BBL027931, STL382164, AKOS001579504, CINNAMYL CINNAMATE (E,E)-FORM, (E,E)-3-Phenylallyl 3-phenylacrylate, NCGC00256814-01, AS-70361, CAS-122-69-0, VS-08626, CS-0023900, NS00012096, D89335, SR-01000395290, SR-01000395290-1, Q27277496, Z19782580, (2E)-3-Phenylprop-2-en-1-yl (2Z)-3-phenylprop-2-enoic acid, 204-566-1
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC(CCCCC1CCCCC1)CCC1CCCCC1
Np Classifier Class Cinnamic acids and derivatives
Deep Smiles O=C/C=C/cccccc6))))))))OC/C=C/cccccc6
Heavy Atom Count 20.0
Classyfire Class Cinnamic acids and derivatives
Scaffold Graph Node Level OC(CCC1CCCCC1)OCCCC1CCCCC1
Classyfire Subclass Cinnamic acid esters
Isotope Atom Count 0.0
Molecular Complexity 331.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name [(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 4.4
Gsk 4 400 Rule True
Molecular Formula C18H16O2
Scaffold Graph Node Bond Level O=C(C=Cc1ccccc1)OCC=Cc1ccccc1
Prediction Swissadme 0.0
Inchi Key NQBWNECTZUOWID-MZXMXVKLSA-N
Silicos It Class Moderately soluble
Fcsp3 0.0555555555555555
Logs -4.703
Rotatable Bond Count 6.0
Logd 4.292
Synonyms cinnamyl cinnamate, cinnamyl cinnamate (styracin), cinnamyl-cinnamate
Esol Class Moderately soluble
Functional Groups c/C=C/C, c/C=C/C(=O)OC
Compound Name Cinnamyl cinnamate
Prediction Hob Swissadme 0.0
Exact Mass 264.115
Formal Charge 0.0
Monoisotopic Mass 264.115
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 264.3
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Lipinski Rule Of 5 True
Esol -4.330308799999999
Inchi InChI=1S/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+
Smiles C1=CC=C(C=C1)/C=C/COC(=O)/C=C/C2=CC=CC=C2
Nring 2.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 2.0
Egan Rule True
Np Classifier Superclass Phenylpropanoids (C6-C3)