1-Butoxy-3-phenoxy-2-propanol

C13H20O3CAS 3102-00-9224.30 g/mol

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AlcoholEther

Properties

Molecular formula
C13H20O3
Molar mass
224.30 g/mol
Exact mass
224.1412 Da
Density
1.0336 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
165 °C
logP
2.24Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3102-00-9
SMILES
CCCCOCC(O)COc1ccccc1
InChIKey
WBLXZPHICYCDGN-UHFFFAOYSA-N
InChI
InChI=1S/C13H20O3/c1-2-3-9-15-10-12(14)11-16-13-7-5-4-6-8-13/h4-8,12,14H,2-3,9-11H2,1H3

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Names and synonyms

9 names
  • 2-Propanol, 1-butoxy-3-phenoxy-
  • 1-Phenoxy-3-butoxy-2-propanol
  • 3-Butoxy-1-phenoxy-2-propanol
  • Febuprol
  • Valbil
  • Valbilan
  • H 33
  • K 10033
  • NSC 30151

Work with 1-Butoxy-3-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

Butyl phenyl ether1126-79-059 % similar 3-Phenoxy-1,2-propanediol538-43-254 % similar Benzyl butyl ether588-67-047 % similar 1-Phenoxy-2-propanol770-35-447 % similar Batyl alcohol544-62-745 % similar 1,3-Bis(phenylmethoxy)-2-propanol6972-79-845 % similar Ethyl phenyl ether103-73-143 % similar 4-Butoxyphenol122-94-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl jasmonate1211-29-6 Triethyl orthobenzoate1663-61-2 2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethyl-1,3-cyclohexanedione172611-72-2 Nonenylsuccinic anhydride28928-97-4 Methyl 3-oxo-2-(2-penten-1-yl)cyclopentaneacetate39924-52-2

Elsewhere

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