1-Acetylpyrene

C18H12OCAS 3264-21-9244.29 g/mol

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O
Ketone

Properties

Molecular formula
C18H12O
Molar mass
244.29 g/mol
Exact mass
244.0888 Da
logP
4.79Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Not classified as hazardous under GHS by 3 ECHA notifiers. Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3264-21-9
SMILES
CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChIKey
KCIJNJVCFPSUBQ-UHFFFAOYSA-N
InChI
InChI=1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3

Weigh it out

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Work with 1-Acetylpyrene

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-Acetylnaphthalene941-98-059 % similar γ-Oxo-1-pyrenebutyric acid7499-60-749 % similar 9-Acetylphenanthrene2039-77-247 % similar 1,2-Diacetylbenzene704-00-747 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-546 % similar 2-Acetylnaphthalene93-08-346 % similar 1-Aminopyrene1606-67-345 % similar 1-Methylpyrene2381-21-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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