4-Isopropoxybenzaldehyde
Properties
- Molecular formula
- C10H12O2
- Molar mass
- 164.20 g/mol
- Exact mass
- 164.0837 Da
- Melting point
- 167 °C
- Boiling point
- 135–136 °C
- logP
- 2.29Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Identifiers
CAS number
18962-05-5SMILES
CC(C)Oc1ccc(C=O)cc1InChIKey
WDANSDASCKBVKH-UHFFFAOYSA-NInChI
InChI=1S/C10H12O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-8H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzaldehyde, 4-(1-methylethoxy)-
- Benzaldehyde, p-isopropoxy-
- 4-(1-Methylethoxy)benzaldehyde
- p-Isopropoxybenzaldehyde
- 4-(Isopropyloxy)benzaldehyde
- p-(Isopropyloxy)benzaldehyde
- NSC 69072
- 4-[(1-Methylethyl)oxy]benzaldehyde
- 4-(Propan-2-yloxy)benzaldehyde
Work with 4-Isopropoxybenzaldehyde
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
1,4-Diisopropoxybenzene7495-78-563 % similar
4-(Difluoromethoxy)benzaldehyde73960-07-362 % similar
4-Anisaldehyde123-11-555 % similar
4-Ethoxybenzaldehyde10031-82-050 % similar
4-[(Trimethylsilyl)oxy]benzaldehyde1012-12-050 % similar
Cuminaldehyde122-03-250 % similar
4-(1,1-Dimethylethoxy)benzaldehyde57699-45-350 % similar
4-(1-Methylethoxy)benzenamine7664-66-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds