chempirical

Vinylbenzyl alcohol

C27H30O3CAS 30584-69-1402.53 g/mol

Open in Covalent MOL file
OHHOHO
AlcoholAlkene

Properties

Molecular formula
C27H30O3
Molar mass
402.53 g/mol
Exact mass
402.2195 Da
logP
5.47Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
30584-69-1
SMILES
C=CC1=CC=C(C=C1)CO.C=CC1=CC=CC(=C1)CO.C=CC1=CC=CC=C1CO
InChIKey
VGQRISCOCOPGMA-UHFFFAOYSA-N
InChI
InChI=1S/3C9H10O/c1-2-8-3-5-9(7-10)6-4-8;1-2-8-4-3-5-9(6-8)7-10;1-2-8-5-3-4-6-9(8)7-10/h3*2-6,10H,1,7H2

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanol, ar-ethenyl-
  • Benzyl alcohol, ar-vinyl-
  • Ar-Ethenylbenzenemethanol
  • Hydroxymethylstyrene

Work with Vinylbenzyl alcohol

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-Vinylphenyl)methanol1074-61-955 % similar 1,3-Benzenedimethanol626-18-638 % similar Allyl alcohol-styrene copolymer25119-62-438 % similar P,P'-Divinyl-1,2-diphenylethane48174-52-338 % similar 3-Biphenylmethanol69605-90-936 % similar Styrene100-42-536 % similar Benzyl alcohol100-51-636 % similar Polystyrene9003-53-636 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook