1-(3-phenyloxiran-2-yl)ethanone

C10H10O2 — CID 10888230

IUPAC1-(3-phenyloxiran-2-yl)ethanone
SMILESCC(=O)C1OC1c1ccccc1
InChIInChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3
InChIKeyIGCQIHCZUYCYAA-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.72
Rot. Bonds2

About 1-(3-phenyloxiran-2-yl)ethanone

1-(3-phenyloxiran-2-yl)ethanone (PubChem CID 10888230) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-(3-phenyloxiran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-phenyloxiran-2-yl)ethanone
PubChem CID10888230
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1-(3-phenyloxiran-2-yl)ethanone
SMILESCC(=O)C1OC1c1ccccc1
InChIInChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3
InChIKeyIGCQIHCZUYCYAA-UHFFFAOYSA-N
XLogP1.72
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.72
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-(3-phenyloxiran-2-yl)ethanone?
The IUPAC name of 1-(3-phenyloxiran-2-yl)ethanone (CID 10888230) is 1-(3-phenyloxiran-2-yl)ethanone.
What is the SMILES notation for 1-(3-phenyloxiran-2-yl)ethanone?
The canonical SMILES for 1-(3-phenyloxiran-2-yl)ethanone is CC(=O)C1OC1c1ccccc1.
What is the InChIKey of 1-(3-phenyloxiran-2-yl)ethanone?
The InChIKey is IGCQIHCZUYCYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3.
What are the key properties of 1-(3-phenyloxiran-2-yl)ethanone?
1-(3-phenyloxiran-2-yl)ethanone has a molecular weight of 162.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyloxiran-2-yl)ethanone is sourced from PubChem (CID 10888230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).