chempirical

Cinnamyl formate

C10H10O2CAS 104-65-4162.19 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Boiling point
138 °C (at 23 Torr)
logP
1.87Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
104-65-4
SMILES
O=COCC=Cc1ccccc1
InChIKey
LBHJXKYRYCUGPD-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2-Propen-1-ol, 3-phenyl-, 1-formate
  • Cinnamyl alcohol, formate
  • 2-Propen-1-ol, 3-phenyl-, formate
  • Cinnamyl methanoate
  • γ-Phenylallyl formate
  • 3-Phenyl-2-propen-1-yl formate
  • NSC 21737
  • 3-Phenyl-2-propen-1-ol formate

Work with Cinnamyl formate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cinnamyl acetate103-54-850 % similar Cinnamyl alcohol104-54-150 % similar Cinnamyl cinnamate122-69-050 % similar Benzyl formate104-57-448 % similar Cinnamyl propionate103-56-047 % similar 2-Phenylethyl formate104-62-147 % similar Cinnamaldehyde104-55-247 % similar Cinnamaldehyde14371-10-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 6-Methoxy-1-indanone13623-25-1 2-Methoxycinnamaldehyde1504-74-1 4-Methylcinnamic acid1866-39-3

Elsewhere

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