chempirical

1-Pyrenemethanol

C17H12OCAS 24463-15-8232.28 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C17H12O
Molar mass
232.28 g/mol
Exact mass
232.0888 Da
Melting point
123–124 °C
logP
4.08Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
24463-15-8
SMILES
OCc1ccc2ccc3cccc4ccc1c2c34
InChIKey
NGDMLQSGYUCLDC-UHFFFAOYSA-N
InChI
InChI=1S/C17H12O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9,18H,10H2

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Names and synonyms

2 names
  • 1-(1-Hydroxymethyl)pyrene
  • 1-Hydroxymethylpyrene

Work with 1-Pyrenemethanol

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-Naphthalenemethanol4780-79-455 % similar 1-Pyrenebutanoic acid3443-45-649 % similar Pyrene129-00-046 % similar 1-Aminopyrene1606-67-345 % similar 1-Methylpyrene2381-21-745 % similar Benzo(ghi)perylene191-24-244 % similar Benzo(A)pyrene50-32-844 % similar Benzo(E)pyrene192-97-243 % similar

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

Same formula

1-Methoxypyrene34246-96-3 3-(9-Anthracenyl)-2-propenal38982-12-6 1-Benzoylnaphthalene642-29-5 2-Benzoylnaphthalene644-13-3

Elsewhere

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