Cinnamyl formate
PubChem CID: 5354883
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cinnamyl formate, 104-65-4, Cinnamyl alcohol, formate, Cinnamyl methanoate, Formic acid, cinnamyl ester, 3-Phenylallyl formate, 3-Phenyl-2-propen-1-yl formate, 2-PROPEN-1-OL, 3-PHENYL-, FORMATE, FEMA No. 2299, gamma-Phenylallyl formate, 23510-72-7, 2-Propen-1-ol, 3-phenyl-, 1-formate, EINECS 203-223-3, [(E)-3-phenylprop-2-enyl] formate, NSC 21737, BRN 1860334, 896AGS89RD, AI3-02455, NSC-21737, .gamma.-Phenylallyl formate, CINNAMYL FORMATE [FCC], CINNAMYL FORMATE [FHFI], 0-06-00-00571 (Beilstein Handbook Reference), (E)-Cinnamyl formate, DTXSID00861714, UNII-896AGS89RD, (E)-Cinnamylformate, MFCD00021048, 2-Propen-1-ol, formate, WLN: VHO2U1R, 2-Propen-1-ol, 3-phenyl-, 1-formate, (2E)-, SCHEMBL22460, 3-Phenyl-2-propenyl formate, DTXCID40810600, CHEBI:196003, Cinnamyl alcohol, formate (8CI), Cinnamyl formate, >=92%, FCC, DTXSID401265889, NSC21737, [(E)-3-phenylprop-2-enyl] ormate, AKOS015891432, (2E)-3-Phenyl-2-propenyl formate #, CS-W016114, DS-5279, LS-13762, NS00012097, Q27270010, 203-223-3 |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | O=COC/C=C/cccccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Styrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-3-phenylprop-2-enyl] formate |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | LBHJXKYRYCUGPD-QPJJXVBHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | cinnamyl formate |
| Esol Class | Soluble |
| Functional Groups | COC=O, c/C=C/C |
| Compound Name | Cinnamyl formate |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+ |
| Smiles | C1=CC=C(C=C1)/C=C/COC=O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Paradisi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698477 - 2. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698477 - 3. Outgoing r'ship
FOUND_INto/from Magnolia Champaca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9700493