1-Hydroxypyrene

C₁₆H₁₀OCAS 5315-79-7218.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₀O
Molar mass: 218.25 g/mol
Exact mass: 218.0732 Da
Melting point: 180 °C
logP: 4.29Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

5315-79-7

SMILES

Oc1ccc2ccc3cccc4ccc1c2c34

InChIKey

BIJNHUAPTJVVNQ-UHFFFAOYSA-N

InChI

InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H

Weigh it out

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

Names and synonyms

4 names

1-Pyrenol
3-Hydroxypyrene
3-Pyrenol
NSC 30968

Reactions

3-Hydroxypyrene (1-Pyrenol)product

Work with 1-Hydroxypyrene

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

1-Pyrenecarboxaldehyde3029-19-455 % similar 1,8-Dihydroxynaphthalene569-42-654 % similar Pyrene129-00-052 % similar 1-Naphthol90-15-352 % similar 1-Aminopyrene1606-67-350 % similar Benzo(ghi)perylene191-24-250 % similar 1-Methylpyrene2381-21-750 % similar 1-Pyrenemethanol24463-15-850 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia