ethane;2-phenyloxirane

C10H14O — CID 54171856

IUPACethane;2-phenyloxirane
SMILESCC.c1ccc(C2CO2)cc1
InChIInChI=1S/C8H8O.C2H6/c1-2-4-7(5-3-1)8-6-9-8;1-2/h1-5,8H,6H2;1-2H3
InChIKeyOVOPDOKJKNHEFH-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.78
Rot. Bonds1

About ethane;2-phenyloxirane

ethane;2-phenyloxirane (PubChem CID 54171856) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is ethane;2-phenyloxirane.

Molecular Properties

Compound Nameethane;2-phenyloxirane
PubChem CID54171856
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Nameethane;2-phenyloxirane
SMILESCC.c1ccc(C2CO2)cc1
InChIInChI=1S/C8H8O.C2H6/c1-2-4-7(5-3-1)8-6-9-8;1-2/h1-5,8H,6H2;1-2H3
InChIKeyOVOPDOKJKNHEFH-UHFFFAOYSA-N
XLogP2.78
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Benzyl acetate
CID 8785
Styrene Oxide
CID 7276
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Dibenzyl ether
CID 7657
Benzyl formate
CID 7708
(S)-styrene oxide
CID 114946
Benzaldehyde dimethyl acetal
CID 62375
1-Phenylethyl propionate
CID 8432
Methyl phenethyl ether
CID 19089
1-Phenylethyl Acetate
CID 62341
1-Phenylethanol, (R)-
CID 637516

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyloxirane?
The IUPAC name of ethane;2-phenyloxirane (CID 54171856) is ethane;2-phenyloxirane.
What is the SMILES notation for ethane;2-phenyloxirane?
The canonical SMILES for ethane;2-phenyloxirane is CC.c1ccc(C2CO2)cc1.
What is the InChIKey of ethane;2-phenyloxirane?
The InChIKey is OVOPDOKJKNHEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C2H6/c1-2-4-7(5-3-1)8-6-9-8;1-2/h1-5,8H,6H2;1-2H3.
What are the key properties of ethane;2-phenyloxirane?
ethane;2-phenyloxirane has a molecular weight of 150.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyloxirane is sourced from PubChem (CID 54171856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).