2-[2-(2-phenylethoxy)ethyl]oxirane

C12H16O2 — CID 22768284

IUPAC2-[2-(2-phenylethoxy)ethyl]oxirane
SMILESc1ccc(CCOCCC2CO2)cc1
InChIInChI=1S/C12H16O2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-14-12/h1-5,12H,6-10H2
InChIKeyVWYZUQMOKOVHCL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.03
Rot. Bonds6

About 2-[2-(2-phenylethoxy)ethyl]oxirane

2-[2-(2-phenylethoxy)ethyl]oxirane (PubChem CID 22768284) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[2-(2-phenylethoxy)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(2-phenylethoxy)ethyl]oxirane
PubChem CID22768284
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-[2-(2-phenylethoxy)ethyl]oxirane
SMILESc1ccc(CCOCCC2CO2)cc1
InChIInChI=1S/C12H16O2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-14-12/h1-5,12H,6-10H2
InChIKeyVWYZUQMOKOVHCL-UHFFFAOYSA-N
XLogP2.03
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
2-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-[2-[4-(4-ethenylphenyl)butoxy]ethyl]oxirane
CID 141222856
2-[2-(2-phenylethoxy)ethyl]cyclohexan-1-one
CID 141155106
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
2-(3-phenoxypropyl)oxirane
CID 23468414
2-[2-(oxiran-2-yl)ethoxy]ethanol
CID 20723947
[5-(2-phenylethoxymethyl)oxolan-2-yl]methanamine
CID 115002130
(3R,6S)-3-methoxy-6-(2-phenylmethoxyethyl)-1,4-dioxan-2-one
CID 71481651
(3S,6S)-3-methoxy-6-(2-phenylmethoxyethyl)-1,4-dioxan-2-one
CID 71481806

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethoxy)ethyl]oxirane?
The IUPAC name of 2-[2-(2-phenylethoxy)ethyl]oxirane (CID 22768284) is 2-[2-(2-phenylethoxy)ethyl]oxirane.
What is the SMILES notation for 2-[2-(2-phenylethoxy)ethyl]oxirane?
The canonical SMILES for 2-[2-(2-phenylethoxy)ethyl]oxirane is c1ccc(CCOCCC2CO2)cc1.
What is the InChIKey of 2-[2-(2-phenylethoxy)ethyl]oxirane?
The InChIKey is VWYZUQMOKOVHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-4-11(5-3-1)6-8-13-9-7-12-10-14-12/h1-5,12H,6-10H2.
What are the key properties of 2-[2-(2-phenylethoxy)ethyl]oxirane?
2-[2-(2-phenylethoxy)ethyl]oxirane has a molecular weight of 192.26 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethoxy)ethyl]oxirane is sourced from PubChem (CID 22768284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).