chempirical

tert-Butoxybenzene

C10H14OCAS 6669-13-2150.22 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
logP
2.86Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
6669-13-2
SMILES
CC(C)(C)OC1=CC=CC=C1
InChIKey
PNKZBZPLRKCVLI-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3

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Names and synonyms

12 names
  • (2-Methylpropan-2-yl)oxybenzene
  • Benzene, (1,1-dimethylethoxy)-
  • (tert-Butoxy)benzene
  • (1,1-Dimethylethoxy)benzene
  • tert-Butyl phenyl ether
  • Phenyl-t-butylether
  • Phenyl tert-butyl ether
  • t-Butoxybenzene
  • tert-Butoxy-benzene
  • Ether, tert-butyl phenyl
  • Phenyl t-butyl ether
  • Phenyl t-

Reactions

Work with tert-Butoxybenzene

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

1-tert-Butoxy-4-chlorobenzene18995-35-256 % similar p-tert-Butoxyphenol2460-87-956 % similar (Trifluoromethoxy)benzene456-55-350 % similar 4-(1,1-Dimethylethoxy)benzaldehyde57699-45-350 % similar 1-(1,1-Dimethylethoxy)-4-ethenylbenzene95418-58-950 % similar 1-(1,1-Dimethylethoxy)-3-ethenylbenzene105612-79-148 % similar tert-Butyl phenyl carbonate6627-89-047 % similar Fibric acid943-45-347 % similar

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

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-3 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8

Elsewhere

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