1-Phenylnonan-1-one
Properties
- Molecular formula
- C15H22O
- Molar mass
- 218.34 g/mol
- Exact mass
- 218.1671 Da
- Melting point
- 46 °C
- Boiling point
- 298–330 °C
- logP
- 4.62Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 8
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
6008-36-2SMILES
CCCCCCCCC(=O)c1ccccc1InChIKey
PFUPABFCHVRLLY-UHFFFAOYSA-NInChI
InChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Nonanophenone
- 1-Nonanone, 1-phenyl-
- Pelargonophenone
- 1-Phenyl-1-nonanone
- Pelargonylbenzene
- Octyl phenyl ketone
- Nonanoylbenzene
- n-Octyl phenyl ketone
Work with 1-Phenylnonan-1-one
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Heptanophenone1671-75-6100 % similar
Octanophenone1674-37-9100 % similar
Dodecanophenone1674-38-0100 % similar
Decanophenone6048-82-4100 % similar
Hexanophenone942-92-796 % similar
Valerophenone1009-14-986 % similar
1,6-Diphenyl-1,6-hexanedione3375-38-074 % similar
1-Phenyl-1,3-eicosanedione58446-52-974 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds