cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane

C25H30O2 — CID 159892140

IUPACcyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane
SMILESO=C(c1ccccc1)C1CCCC1.c1ccc(C2(C3CCCC3)CO2)cc1
InChIInChI=1S/C13H16O.C12H14O/c1-2-6-11(7-3-1)13(10-14-13)12-8-4-5-9-12;13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-10H2;1-3,6-7,11H,4-5,8-9H2
InChIKeyNUWRZVCRZURQMT-UHFFFAOYSA-N
MW362.51 g/mol
LogP6.16
Rot. Bonds4

About cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane

cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane (PubChem CID 159892140) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane.

Molecular Properties

Compound Namecyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane
PubChem CID159892140
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Namecyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane
SMILESO=C(c1ccccc1)C1CCCC1.c1ccc(C2(C3CCCC3)CO2)cc1
InChIInChI=1S/C13H16O.C12H14O/c1-2-6-11(7-3-1)13(10-14-13)12-8-4-5-9-12;13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-10H2;1-3,6-7,11H,4-5,8-9H2
InChIKeyNUWRZVCRZURQMT-UHFFFAOYSA-N
XLogP6.16
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
CID 177309073
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
oxan-3-yl(phenyl)methanone
CID 63011351
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
cyclohexyl-(4-phenylsulfanylphenyl)methanone
CID 141107272
[1-(2-methyloxirane-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 167841638
cyclohexyl(phenyl)methanone;2-hydroxy-1,2-diphenylethanone
CID 175464562
2-[4-(cyclopentanecarbonyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731368
1-phenyl-2-oxabicyclo[4.1.0]heptane
CID 154332997
2-[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139730836

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane?
The IUPAC name of cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane (CID 159892140) is cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane.
What is the SMILES notation for cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane?
The canonical SMILES for cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane is O=C(c1ccccc1)C1CCCC1.c1ccc(C2(C3CCCC3)CO2)cc1.
What is the InChIKey of cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane?
The InChIKey is NUWRZVCRZURQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O.C12H14O/c1-2-6-11(7-3-1)13(10-14-13)12-8-4-5-9-12;13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-10H2;1-3,6-7,11H,4-5,8-9H2.
What are the key properties of cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane?
cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane has a molecular weight of 362.51 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(phenyl)methanone;2-cyclopentyl-2-phenyloxirane is sourced from PubChem (CID 159892140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).