oxiran-2-yl(phenyl)methanone

C9H8O2 — CID 11788375

IUPACoxiran-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CO1
InChIInChI=1S/C9H8O2/c10-9(8-6-11-8)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyBWQNUTOXKGPMMU-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.27
Rot. Bonds2

About oxiran-2-yl(phenyl)methanone

oxiran-2-yl(phenyl)methanone (PubChem CID 11788375) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is oxiran-2-yl(phenyl)methanone.

Molecular Properties

Compound Nameoxiran-2-yl(phenyl)methanone
PubChem CID11788375
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Nameoxiran-2-yl(phenyl)methanone
SMILESO=C(c1ccccc1)C1CO1
InChIInChI=1S/C9H8O2/c10-9(8-6-11-8)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyBWQNUTOXKGPMMU-UHFFFAOYSA-N
XLogP1.27
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.27
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

[(2R,3S)-3-deuteriooxiran-2-yl]-phenylmethanone
CID 101354786
oxiran-2-yl-(4-phenoxyphenyl)methanone
CID 116826428
[2-(oxirane-2-carbonyl)phenyl]-(oxiran-2-yl)methanone
CID 141300855
(3-bromophenyl)-(oxiran-2-yl)methanone
CID 116826508
(2,4-dihydroxyoxolan-3-yl)-phenylmethanone
CID 174518097
(2-hydroxyphenyl)-(oxiran-2-yl)methanone
CID 10820908
(4,5-dimethyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
CID 78068098
(4-methyl-3,6-dihydro-2H-pyran-2-yl)-phenylmethanone
CID 10512299
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
2-(oxirane-2-carbonyl)-3,3-diphenylprop-2-enenitrile
CID 89207039
(2R,5S)-5-phenyl-1,4-dioxane-2-carboxylic acid
CID 53350289

Frequently Asked Questions

What is the IUPAC name of oxiran-2-yl(phenyl)methanone?
The IUPAC name of oxiran-2-yl(phenyl)methanone (CID 11788375) is oxiran-2-yl(phenyl)methanone.
What is the SMILES notation for oxiran-2-yl(phenyl)methanone?
The canonical SMILES for oxiran-2-yl(phenyl)methanone is O=C(c1ccccc1)C1CO1.
What is the InChIKey of oxiran-2-yl(phenyl)methanone?
The InChIKey is BWQNUTOXKGPMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-9(8-6-11-8)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of oxiran-2-yl(phenyl)methanone?
oxiran-2-yl(phenyl)methanone has a molecular weight of 148.16 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-yl(phenyl)methanone is sourced from PubChem (CID 11788375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).