(2-Hydroxybenzyl)diphenylphosphine oxide

C₁₉H₁₇O₂PCAS 70127-50-3308.32 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₉H₁₇O₂P
Molar mass: 308.32 g/mol
Exact mass: 308.0966 Da
logP: 3.91Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin40% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

70127-50-3

SMILES

C1=CC=C(C=C1)P(=O)(CC2=CC=CC=C2O)C3=CC=CC=C3

InChIKey

NQWHOPCJTGVYOX-UHFFFAOYSA-N

InChI

InChI=1S/C19H17O2P/c20-19-14-8-7-9-16(19)15-22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,20H,15H2

Weigh it out

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

Names and synonyms

1 names

2-((Diphenylphosphoroso)methyl)phenol

Work with (2-Hydroxybenzyl)diphenylphosphine oxide

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

Ethyldiphenylphosphine oxide1733-57-945 % similar 2-Benzylphenol28994-41-445 % similar Salicyl alcohol90-01-744 % similar 2-Ethylphenol90-00-642 % similar 2-(Aminomethyl)phenol932-30-942 % similar 2-(2-Hydroxyethyl)phenol7768-28-741 % similar (2-Hydroxyphenyl)acetic acid614-75-541 % similar 2-(2-Aminoethyl)phenol2039-66-940 % similar

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

Elsewhere

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