chempirical

O-Cresol-D8

C7D8OCAS 203645-65-2116.19 g/mol

Open in Covalent MOL file
DDDDDODDD
Phenol

Properties

Molecular formula
C7D8O
Molar mass
116.19 g/mol
Exact mass
116.1077 Da
logP
1.70Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
203645-65-2
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])O[2H])[2H])[2H]
InChIKey
QWVGKYWNOKOFNN-IWRLGKISSA-N
InChI
InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3/i1D3,2D,3D,4D,5D/hD

Weigh it out

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

Work with O-Cresol-D8

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

O-Cresol95-48-7Unlabelled

Similar compounds

Phen-2,3,4,5,6-d5-ol-d13127-88-332 % similar Toluene-D82037-26-532 % similar

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

Same formula

Benzyl alcohol100-51-6 Anisole100-66-3 P-Cresol106-44-5 M-Cresol108-39-4 (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one13173-09-6 Nortricyclenone-3695-05-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook