2-Phenylcycloheptan-1-one

C₁₃H₁₆OCAS 14996-78-2188.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₆O
Molar mass: 188.27 g/mol
Exact mass: 188.1201 Da
logP: 3.30Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

14996-78-2

SMILES

C1CCC(C(=O)CC1)C2=CC=CC=C2

InChIKey

PVHNKILPLXXDDZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H16O/c14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2

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Names and synonyms

4 names

2-Phenylcycloheptanone
Cycloheptanone, 2-phenyl-
2-Phenyl-cycloheptanon
2-Phenyl-cycloheptan-1-one

Work with 2-Phenylcycloheptan-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Phenylcyclohexanone1444-65-196 % similar 2-(3-Methoxyphenyl)cyclohexanone15547-89-457 % similar Seratrodast112665-43-747 % similar 2-Benzylcyclopentanone2867-63-246 % similar Cyclohexylbenzene827-52-145 % similar Cyclohexylphenylacetic acid3894-09-544 % similar 4-Phenylcyclohexanone4894-75-143 % similar α-Ethylbenzeneacetyl chloride36854-57-642 % similar

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

Same formula

[[(2,2-Dimethyl-3-butyn-1-yl)oxy]methyl]benzene1092536-54-3 2-Cyclohexylbenzaldehyde128323-04-6 5-Methyl-2-phenyl-2-hexenal21834-92-4 4-(4-Methylphenyl)cyclohexanone40503-90-0 4,4-Dimethyl-1-phenyl-1-penten-3-one538-44-3 Cyclohexyl phenyl ketone712-50-5 2-Benzylcyclohexanone946-33-8

Elsewhere

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