1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone

C17H16O2 — CID 11807148

IUPAC1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone
SMILESCC(=O)C1(C)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(18)16(2)17(19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyHHURMBXGFURZBN-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.31
Rot. Bonds3

About 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone

1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone (PubChem CID 11807148) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone
PubChem CID11807148
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone
SMILESCC(=O)C1(C)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-13(18)16(2)17(19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyHHURMBXGFURZBN-UHFFFAOYSA-N
XLogP3.31
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone?
The IUPAC name of 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone (CID 11807148) is 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone?
The canonical SMILES for 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone is CC(=O)C1(C)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone?
The InChIKey is HHURMBXGFURZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(18)16(2)17(19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone?
1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone has a molecular weight of 252.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,3-diphenyloxiran-2-yl)ethanone is sourced from PubChem (CID 11807148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).