phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone

C17H16O2 — CID 11021385

IUPACphenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone
SMILESO=C(c1ccccc1)C1OC1CCc1ccccc1
InChIInChI=1S/C17H16O2/c18-16(14-9-5-2-6-10-14)17-15(19-17)12-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2
InChIKeySNKMIKAGDOSMGI-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.27
Rot. Bonds5

About phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone

phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone (PubChem CID 11021385) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone
PubChem CID11021385
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namephenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone
SMILESO=C(c1ccccc1)C1OC1CCc1ccccc1
InChIInChI=1S/C17H16O2/c18-16(14-9-5-2-6-10-14)17-15(19-17)12-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2
InChIKeySNKMIKAGDOSMGI-UHFFFAOYSA-N
XLogP3.27
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.27
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

1-[3-(2-phenylethyl)oxiran-2-yl]ethanone
CID 12794803
[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]-phenylmethanone
CID 101254811
[(2S,3R)-3-ethyloxiran-2-yl]-phenylmethanone
CID 10866861
ethyl (2R,3R)-3-(2-phenylethyl)oxirane-2-carboxylate
CID 138975697
phenyl-[3-[2-(8-phenyloctyl)phenyl]oxiran-2-yl]methanone
CID 85305924
phenyl-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methanone
CID 146166302
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
phenyl-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanone
CID 146165841
(2S,3S)-3-benzoyloxirane-2-carboxamide
CID 22806306
benzyl N-[(2S)-1-oxo-3-phenyl-1-[2-[3-(2-phenylethyl)oxirane-2-carbonyl]hydrazinyl]propan-2-yl]carbamate
CID 10368186
[(2S,3R)-3-[(2R)-2-hydroxy-4-(4-hydroxyphenyl)butyl]oxiran-2-yl]-(4-hydroxyphenyl)methanone
CID 162989758

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone?
The IUPAC name of phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone (CID 11021385) is phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone.
What is the SMILES notation for phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone?
The canonical SMILES for phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone is O=C(c1ccccc1)C1OC1CCc1ccccc1.
What is the InChIKey of phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone?
The InChIKey is SNKMIKAGDOSMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-16(14-9-5-2-6-10-14)17-15(19-17)12-11-13-7-3-1-4-8-13/h1-10,15,17H,11-12H2.
What are the key properties of phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone?
phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone has a molecular weight of 252.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-(2-phenylethyl)oxiran-2-yl]methanone is sourced from PubChem (CID 11021385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).