chempirical

Benzyl isoeugenol

C17H18O2CAS 120-11-6254.33 g/mol

Open in Covalent MOL file
OO
AlkeneEther

Properties

Molecular formula
C17H18O2
Molar mass
254.33 g/mol
Exact mass
254.1307 Da
Melting point
46–52 °C
Boiling point
198–204 °C (at 5 Torr)
logP
4.31Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 1,623 ECHA notifiers. Aggregated from 1,623 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
120-11-6
SMILES
CC=Cc1ccc(OCc2ccccc2)c(OC)c1
InChIKey
YKSSSKBJDZDZTD-UHFFFAOYSA-N
InChI
InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)-
  • Benzene, 1-(benzyloxy)-2-methoxy-4-propenyl-
  • Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-
  • 2-Methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)benzene
  • Benzyl isoeugenol ether
  • Benzyl 2-methoxy-4-propenylphenyl ether
  • Isoeugenol, benzyl ether
  • NSC 46157
  • Isoeugenyl benzyl ether

Work with Benzyl isoeugenol

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

4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-171 % similar 4-Benzyloxy-3-methoxy-omega-nitrostyrene63909-38-666 % similar 4-Benzyloxy-3-methoxycinnamic acid7152-95-666 % similar Methyl isoeugenol93-16-364 % similar 3-(Benzyloxy)-4-methoxybenzaldehyde6346-05-063 % similar trans-3-Benzyloxy-4-methoxy-beta-nitrostyrene63909-29-559 % similar 4-Benzyloxy-3-methoxyphenylacetonitrile1700-29-456 % similar 3,4-Bis(benzyloxy)benzaldehyde5447-02-955 % similar

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

Same formula

9,9-Bis(methoxymethyl)fluorene182121-12-6 2,2'-(9H-Fluorene-9,9-diyl)diethanol203070-78-4 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid5748-42-5 4'-Butyl-[1,1'-biphenyl]-4-carboxylic acid59662-46-3 Benzoin isopropyl ether6652-28-4 2-(1-Methylethyl)-5-[(1E)-2-phenylethenyl]-1,3-benzenediol79338-84-4

Elsewhere

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