3-(Benzyloxy)propane-1,2-diol

C₁₀H₁₄O₃CAS 17325-85-8182.22 g/mol

Open in Covalent MOL file

Alcohol Ether

Properties

Molecular formula: C₁₀H₁₄O₃
Molar mass: 182.22 g/mol
Exact mass: 182.0943 Da
logP: 0.56Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17325-85-8

SMILES

OC[C@H](O)COCc1ccccc1

InChIKey

LWCIBYRXSHRIAP-JTQLQIEISA-N

InChI

InChI=1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

(-)-3-Benzyloxy-1,2-propanediol
1,2-Propanediol, 3-(phenylmethoxy)-, (2S)-
1,2-Propanediol, 3-(benzyloxy)-, D-
1,2-Propanediol, 3-(phenylmethoxy)-, (S)-
(2S)-3-(Phenylmethoxy)-1,2-propanediol
D-1-Benzylglycerol
1-O-Benzyl-sn-glycerol
(S)-3-(Benzyloxy)-1,2-propanediol
(S)-1-O-Benzylglycerol
(2S)-3-Benzyloxypropane-1,2-diol
1,2-Propanediol 3-(phenylmethoxy)-, (2S)-
(S)-(-)-3-Benzyloxy-1,2-propanediol
(2S)-3-Phenylmethoxypropane-1,2-diol

Work with 3-(Benzyloxy)propane-1,2-diol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-(Benzyloxy)-1,2-propanediol13071-59-5Stereo not defined 3-(Benzyloxy)-1,2-propanediol4799-67-1Stereo not defined

Similar compounds

1,3-Bis(phenylmethoxy)-2-propanol6972-79-879 % similar (-)-1,4-Di-O-benzyl-L-threitol17401-06-861 % similar (+)-1,4-Di-O-benzyl-D-threitol91604-41-061 % similar 3-Phenoxy-1,2-propanediol538-43-258 % similar Diglycerin59113-36-954 % similar Bis(2,3-dihydroxypropyl) ether627-82-754 % similar Polyglycerin-356090-54-152 % similar Decaglycerin9041-07-052 % similar

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

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 2-Acetyldimedone1755-15-3 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7 Furfuryl pentanoate36701-01-6

Elsewhere

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