2-[2-(Benzyloxy)ethoxy]ethan-1-ol

C₁₁H₁₆O₃CAS 2050-25-1196.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆O₃
Molar mass: 196.25 g/mol
Exact mass: 196.1099 Da
logP: 1.21Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

2050-25-1

SMILES

C1=CC=C(C=C1)COCCOCCO

InChIKey

LJVNVNLFZQFJHU-UHFFFAOYSA-N

InChI

InChI=1S/C11H16O3/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

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Names and synonyms

1 names

2-[2-(Benzyloxy)ethoxy]ethanol

Work with 2-[2-(Benzyloxy)ethoxy]ethan-1-ol

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

Hexaethylene glycol monobenzyl ether24342-68-5100 % similar Triethylene glycol monobenzyl ether55489-58-2100 % similar 2-[2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol57671-28-0100 % similar 2-[2-[2-[2-(Benzyloxy)ethoxy]ethoxy]ethoxy]ethanol86259-87-2100 % similar 2-(Benzyloxy) ethanol622-08-292 % similar 3-Benzyloxy-1-propanol4799-68-271 % similar Dibenzyl ether103-50-456 % similar Benzyl 2-bromoethyl ether1462-37-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hydroxyadamantane-1-carboxylic acid42711-75-1

Elsewhere

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