(3-benzoyloxiran-2-yl)-phenylmethanone

C16H12O3 — CID 20502

IUPAC(3-benzoyloxiran-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1OC1C(=O)c1ccccc1
InChIInChI=1S/C16H12O3/c17-13(11-7-3-1-4-8-11)15-16(19-15)14(18)12-9-5-2-6-10-12/h1-10,15-16H
InChIKeyADFLDJCSCJHDEY-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.52
Rot. Bonds4

About (3-benzoyloxiran-2-yl)-phenylmethanone

(3-benzoyloxiran-2-yl)-phenylmethanone (PubChem CID 20502) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (3-benzoyloxiran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzoyloxiran-2-yl)-phenylmethanone
PubChem CID20502
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name(3-benzoyloxiran-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1OC1C(=O)c1ccccc1
InChIInChI=1S/C16H12O3/c17-13(11-7-3-1-4-8-11)15-16(19-15)14(18)12-9-5-2-6-10-12/h1-10,15-16H
InChIKeyADFLDJCSCJHDEY-UHFFFAOYSA-N
XLogP2.52
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3-benzoyloxiran-2-yl)-phenylmethanone?
The IUPAC name of (3-benzoyloxiran-2-yl)-phenylmethanone (CID 20502) is (3-benzoyloxiran-2-yl)-phenylmethanone.
What is the SMILES notation for (3-benzoyloxiran-2-yl)-phenylmethanone?
The canonical SMILES for (3-benzoyloxiran-2-yl)-phenylmethanone is O=C(c1ccccc1)C1OC1C(=O)c1ccccc1.
What is the InChIKey of (3-benzoyloxiran-2-yl)-phenylmethanone?
The InChIKey is ADFLDJCSCJHDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-13(11-7-3-1-4-8-11)15-16(19-15)14(18)12-9-5-2-6-10-12/h1-10,15-16H.
What are the key properties of (3-benzoyloxiran-2-yl)-phenylmethanone?
(3-benzoyloxiran-2-yl)-phenylmethanone has a molecular weight of 252.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyloxiran-2-yl)-phenylmethanone is sourced from PubChem (CID 20502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).