Bis(phenylmethyl) carbonate

C₁₅H₁₄O₃CAS 3459-92-5242.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₄O₃
Molar mass: 242.27 g/mol
Exact mass: 242.0943 Da
Melting point: 29–29.5 °C
Boiling point: 175–180 °C (at 4 Torr)
logP: 3.54Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

3459-92-5

SMILES

O=C(OCc1ccccc1)OCc1ccccc1

InChIKey

PIZLBWGMERQCOC-UHFFFAOYSA-N

InChI

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

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Names and synonyms

5 names

Carbonic acid, bis(phenylmethyl) ester
Carbonic acid, dibenzyl ester
Dibenzyl carbonate
Benzyl carbonate
NSC 406789

Work with Bis(phenylmethyl) carbonate

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

Dibenzyl pyrocarbonate31139-36-383 % similar Phenyl phenylmethyl carbonate28170-07-274 % similar Dibenzyl oxalate7579-36-468 % similar N-(Benzyloxycarbonyloxy)succinimide13139-17-865 % similar Dibenzyl succinate103-43-563 % similar Dibenzyl malonate15014-25-263 % similar Benzyl phenylacetate102-16-961 % similar Benzyl benzoate120-51-461 % similar

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

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 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

Elsewhere

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