chempirical

3-(Benzyloxy)-1-propanol

C10H14O2CAS 4799-68-2166.22 g/mol

Open in Covalent MOL file
HOO
AlcoholEther

Properties

Molecular formula
C10H14O2
Molar mass
166.22 g/mol
Exact mass
166.0994 Da
Density
1.0484 g/mL (at 18 °C)
Boiling point
142 °C (at 10 Torr)
logP
1.59Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Identifiers

CAS number
4799-68-2
SMILES
OCCCOCc1ccccc1
InChIKey
FUCYABRIJPUVAT-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2

Weigh it out

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

Names and synonyms

8 names
  • 1-Propanol, 3-(phenylmethoxy)-
  • 1-Propanol, 3-(benzyloxy)-
  • 3-(Phenylmethoxy)-1-propanol
  • 1,3-Propanediol monobenzyl ether
  • 1-(Benzyloxy)-3-propanol
  • 3-Benzyloxypropanol
  • NSC 406922
  • 3-[(Phenylmethyl)oxy]propan-1-ol

Work with 3-(Benzyloxy)-1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzyloxyethanol622-08-277 % similar Benzyl 3-bromopropyl ether54314-84-060 % similar Benzyl butyl ether588-67-060 % similar Dibenzyl ether103-50-456 % similar Benzenebutanol3360-41-656 % similar 8-Phenyl-1-octanol10472-97-654 % similar 5-Phenyl-1-pentanol10521-91-254 % similar 3-Phenoxy-1-propanol6180-61-653 % similar

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

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 (-)-Camphorquinone10334-26-6 Camphorquinone10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3A(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

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