chempirical

Curcumenol

C15H22O2CAS 19431-84-6234.34 g/mol

Open in Covalent MOL file
OHO
AlcoholAlkeneEther

Properties

Molecular formula
C15H22O2
Molar mass
234.34 g/mol
Exact mass
234.1620 Da
Melting point
113–115 °C
logP
3.18Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
R, S, S, Sin SMILES atom order

Identifiers

CAS number
19431-84-6
SMILES
CC1=C[C@@]2(O)O[C@@]3(CC2=C(C)C)[C@@H](C)CC[C@@H]13
InChIKey
ISFMXVMWEWLJGJ-NZBPQXDJSA-N
InChI
InChI=1S/C15H22O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h7,11-12,16H,5-6,8H2,1-4H3/t11-,12-,14-,15+/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • 6H-3a,6-Epoxyazulen-6-ol, 1,2,3,4,5,8a-hexahydro-3,8-dimethyl-5-(1-methylethylidene)-, (3S,3aS,6R,8aS)-
  • 5β-Guaia-7(11),9-dien-8α-ol, 5,8-epoxy-
  • 6H-3a,6-Epoxyazulen-6-ol, 1,2,3,4,5,8a-hexahydro-3,8-dimethyl-5-(1-methylethylidene)-, [3S-(3α,3aα,6α,8aβ)]-
  • (3S,3aS,6R,8aS)-1,2,3,4,5,8a-Hexahydro-3,8-dimethyl-5-(1-methylethylidene)-6H-3a,6-epoxyazulen-6-ol
  • (+)-Curcumenol
  • Curcumenol, (+)-

Work with Curcumenol

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

(-)-Curcumol4871-97-034 % similar

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

Same formula

3,5-Di-tert-butyl-4-hydroxybenzaldehyde1620-98-0 3,5-Bis(1,1-dimethylethyl)benzoic acid16225-26-6 2-Methyl-2-adamantyl methacrylate177080-67-0 4-(Octyloxy)benzaldehyde24083-13-4 Valerenic acid3569-10-6 4-Octylbenzoic acid3575-31-3 3,5-Di-tert-butylsalicylaldehyde37942-07-7 4-Methylphenyl octanoate59558-23-5

Elsewhere

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