chempirical

1-Phenoxy-2-propanol

C9H12O2CAS 770-35-4152.19 g/mol

Open in Covalent MOL file
HOO
AlcoholEther

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Density
1.0622 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
242.7 °C
logP
1.45Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
770-35-4
SMILES
CC(O)COc1ccccc1
InChIKey
IBLKWZIFZMJLFL-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Propanol, 1-phenoxy-
  • Propylene phenoxetol
  • 2-Phenoxy-1-methylethanol
  • Phenoxyisopropanol
  • β-Phenoxyisopropanol
  • (±)-1-Phenoxy-2-propanol
  • rac-1-Phenoxy-2-propanol
  • NSC 24015
  • 2-Hydroxypropyl phenyl ether

Work with 1-Phenoxy-2-propanol

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

Phenyl glycidyl ether122-60-150 % similar 1-Phenyl-2-propanol14898-87-450 % similar (S)-1-Phenyl-2-propanol1517-68-650 % similar 1-Phenyl-2-propanol698-87-350 % similar (2R)-2-(Phenoxymethyl)oxirane71031-02-250 % similar (2S)-2-(Phenoxymethyl)oxirane71031-03-350 % similar 4-Phenyl-2-butanol2344-70-948 % similar 1-Butoxy-3-phenoxy-2-propanol3102-00-947 % similar

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

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 4-Propoxyphenol18979-50-5 4-Propylresorcinol18979-60-7

Elsewhere

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