(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one

C15H18O2 — CID 712460

IUPAC(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
SMILESO=C(CC[C@H]1CCCCC1=O)c1ccccc1
InChIInChI=1S/C15H18O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2/t13-/m1/s1
InChIKeyDLXLLGBRYIRLPH-CYBMUJFWSA-N
MW230.31 g/mol
LogP3.41
Rot. Bonds4

About (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one

(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one (PubChem CID 712460) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
PubChem CID712460
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
SMILESO=C(CC[C@H]1CCCCC1=O)c1ccccc1
InChIInChI=1S/C15H18O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2/t13-/m1/s1
InChIKeyDLXLLGBRYIRLPH-CYBMUJFWSA-N
XLogP3.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 2751330
2-(3-oxo-3-phenylpropyl)cycloheptan-1-one
CID 10824211
2-(3-oxo-3-phenylpropyl)cyclopentane-1,3-dione
CID 101408905
3-[(1R)-2-oxocyclododecyl]propanoic acid
CID 7018981
[(1S)-2-oxocyclohexyl]methyl benzoate
CID 125470780
3-(3-oxo-3-phenylpropyl)pyrrolidin-2-one
CID 59078984
N-benzyl-N-tert-butyl-3-(2-oxocyclohexyl)propanamide
CID 171989434
3-(2-oxocyclododecyl)propanoyl chloride
CID 54316934
4-(2-oxocyclohexyl)butanoic acid
CID 10559385
2-(3-phenylpropyl)cyclotetradecan-1-one
CID 140989755
2-[3-(4-fluoro-2-methylphenyl)-3-oxopropyl]cyclohexan-1-one
CID 86191576
2-benzoylcyclotridecan-1-one
CID 101422484

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one?
The IUPAC name of (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one (CID 712460) is (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one is O=C(CC[C@H]1CCCCC1=O)c1ccccc1.
What is the InChIKey of (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one?
The InChIKey is DLXLLGBRYIRLPH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2/t13-/m1/s1.
What are the key properties of (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one?
(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one is sourced from PubChem (CID 712460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).