2-(Benzyloxy)phenylacetic acid

C₁₅H₁₄O₃CAS 22047-88-7242.27 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₅H₁₄O₃
Molar mass: 242.27 g/mol
Exact mass: 242.0943 Da
Melting point: 97–99 °C
logP: 2.89Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed86.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage86.7% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life86.7% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

22047-88-7

SMILES

O=C(O)Cc1ccccc1OCc1ccccc1

InChIKey

VFYKRBZHJFJOGQ-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O3/c16-15(17)10-13-8-4-5-9-14(13)18-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)

Weigh it out

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

Names and synonyms

8 names

Benzeneacetic acid, 2-(phenylmethoxy)-
Acetic acid, [o-(benzyloxy)phenyl]-
2-(Phenylmethoxy)benzeneacetic acid
o-(Benzyloxy)phenylacetic acid
2-Phenylmethoxybenzeneacetic acid
2-(2-(Benzyloxy)phenyl)acetic acid
2-[2-(Benzyloxy)phenyl]acetic acid
(2-Benzyloxyphenyl)acetic acid

Work with 2-(Benzyloxy)phenylacetic acid

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

2-Ethoxyphenylacetic acid70289-12-266 % similar 2-Phenoxyphenylacetic acid25563-02-463 % similar 4-Benzyloxyphenylacetic acid6547-53-162 % similar 2-Methoxyphenylacetic acid93-25-461 % similar 4-(Benzyloxy)-3-bromophenylacetic acid5884-48-059 % similar 1,2-Benzenediacetic acid7500-53-058 % similar 2-(Trifluoromethoxy)benzeneacetic acid220239-67-857 % similar Phenylacetic acid103-82-256 % similar

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

Same formula

Mexenone1641-17-4 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-0 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Fenoprofen31879-05-7 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3 Bis(phenylmethyl) carbonate3459-92-5

Elsewhere

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