Phen-2,3,4,5,6-D5-ol-D

C₆D₆OCAS 13127-88-3100.15 g/mol

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Properties

Molecular formula: C₆D₆O
Molar mass: 100.15 g/mol
Exact mass: 100.0795 Da
Melting point: 40–40.5 °C
logP: 1.39Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

13127-88-3

SMILES

[2H]Oc1c([2H])c([2H])c([2H])c([2H])c1[2H]

InChIKey

ISWSIDIOOBJBQZ-QNKSCLMFSA-N

InChI

InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D/hD

Weigh it out

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

Names and synonyms

3 names

Phenol-d6
Hexadeuteriophenol
1,2,3,4,5-Pentadeuterio-6-deuteriooxybenzene

Work with Phen-2,3,4,5,6-D5-ol-D

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

Naphthalene-D81146-65-233 % similar Toluene-D82037-26-533 % similar Chlorobenzene-D53114-55-433 % similar Bromobenzene-D54165-57-533 % similar Benzen-2,3,4,5,6-D5-amine4165-61-133 % similar Nitrobenzene-D54165-60-030 % similar

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

Same formula

Phenol108-95-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook