2-(oxiran-2-yl)-1,2-diphenylethanone

C16H14O2 — CID 89270842

IUPAC2-(oxiran-2-yl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)C1CO1
InChIInChI=1S/C16H14O2/c17-16(13-9-5-2-6-10-13)15(14-11-18-14)12-7-3-1-4-8-12/h1-10,14-15H,11H2
InChIKeyXYDCJPZFGRHOFY-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.05
Rot. Bonds4

About 2-(oxiran-2-yl)-1,2-diphenylethanone

2-(oxiran-2-yl)-1,2-diphenylethanone (PubChem CID 89270842) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(oxiran-2-yl)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(oxiran-2-yl)-1,2-diphenylethanone
PubChem CID89270842
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-(oxiran-2-yl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)C1CO1
InChIInChI=1S/C16H14O2/c17-16(13-9-5-2-6-10-13)15(14-11-18-14)12-7-3-1-4-8-12/h1-10,14-15H,11H2
InChIKeyXYDCJPZFGRHOFY-UHFFFAOYSA-N
XLogP3.05
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.05
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

(1S)-1-[(2R)-oxolan-2-yl]-1-phenylpropan-2-one
CID 134925712
2-hydroxy-1,2-diphenylethanone
CID 159399559
2-(2-bromophenyl)-2-(1,3-dioxolan-2-yl)-1-phenylethanone
CID 57379071
oxiran-2-yl(phenyl)methanone
CID 11788375
2-[(R)-fluoro(phenyl)methyl]oxirane
CID 87788232
(2R)-2-[(S)-bromo(phenyl)methyl]oxirane
CID 14961977
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
[(1R)-1-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamic acid
CID 87713871
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
trimethyl-(2-oxo-1,2-diphenylethyl)azanium bromide
CID 87920507
2-anilino-2-(1,4-dioxan-2-yl)-1-phenylethanone
CID 102125828

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)-1,2-diphenylethanone?
The IUPAC name of 2-(oxiran-2-yl)-1,2-diphenylethanone (CID 89270842) is 2-(oxiran-2-yl)-1,2-diphenylethanone.
What is the SMILES notation for 2-(oxiran-2-yl)-1,2-diphenylethanone?
The canonical SMILES for 2-(oxiran-2-yl)-1,2-diphenylethanone is O=C(c1ccccc1)C(c1ccccc1)C1CO1.
What is the InChIKey of 2-(oxiran-2-yl)-1,2-diphenylethanone?
The InChIKey is XYDCJPZFGRHOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-16(13-9-5-2-6-10-13)15(14-11-18-14)12-7-3-1-4-8-12/h1-10,14-15H,11H2.
What are the key properties of 2-(oxiran-2-yl)-1,2-diphenylethanone?
2-(oxiran-2-yl)-1,2-diphenylethanone has a molecular weight of 238.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)-1,2-diphenylethanone is sourced from PubChem (CID 89270842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).