4-tert-Butylanisole
Properties
- Molecular formula
- C11H16O
- Molar mass
- 164.25 g/mol
- Exact mass
- 164.1201 Da
- Density
- 0.9435 g/mL (at 20 °C)
- Melting point
- 19 °C
- Boiling point
- 238 °C
- logP
- 2.99Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 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
5396-38-3SMILES
COc1ccc(C(C)(C)C)cc1InChIKey
MCUPBIBNSTXCPQ-UHFFFAOYSA-NInChI
InChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Benzene, 1-(1,1-dimethylethyl)-4-methoxy-
- Anisole, p-tert-butyl-
- 1-(1,1-Dimethylethyl)-4-methoxybenzene
- p-Methoxy-tert-butylbenzene
- p-tert-Butylanisole
- 4-tert-Butylphenyl methyl ether
- 4-(1,1-Dimethylethyl)anisole
- p-tert-Butylphenyl methyl ether
- 1-tert-Butyl-4-methoxybenzene
- Methyl 4-tert-butylphenyl ether
- 4-tert-Butylmethoxybenzene
- NSC 1266
Work with 4-tert-Butylanisole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Avobenzone70356-09-163 % similar
1,4-Di-tert-butylbenzene1012-72-260 % similar
1,4-Dimethoxybenzene150-78-760 % similar
1-Methoxy-4-(trifluoromethyl)benzene402-52-858 % similar
4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-852 % similar
4,4'-Dimethoxybiphenyl2132-80-152 % similar
4-Methoxytrityl chloride14470-28-150 % similar
4,4′-Dimethoxytrityl chloride40615-36-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds