(-)-8-Phenylmenthol

C₁₆H₂₄OCAS 65253-04-5232.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₄O
Molar mass: 232.37 g/mol
Exact mass: 232.1827 Da
logP: 3.76Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: R, S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65253-04-5

SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)C2=CC=CC=C2

InChIKey

WTQIZFCJMGWUGZ-BPLDGKMQSA-N

InChI

InChI=1S/C16H24O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3/t12-,14-,15-/m1/s1

Weigh it out

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

Work with (-)-8-Phenylmenthol

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

p-Menthane-3,8-diol42822-86-651 % similar Menthol1490-04-638 % similar (+)-Menthol15356-60-238 % similar (±)-Menthol15356-70-438 % similar Menthol2216-51-538 % similar (+)-Neomenthol2216-52-638 % similar (+)-Isomenthol23283-97-838 % similar (±)-Menthol89-78-138 % similar

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

Same formula

P-Octylacetophenone10541-56-7 Decanophenone6048-82-4 Allyl-α-ionone79-78-7 1-Methoxy-4-(trans-4-propylcyclohexyl)benzene81936-32-5 4-(trans-4-Butylcyclohexyl)phenol88581-00-4

Elsewhere

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