2-(3-phenylmethoxypropyl)oxirane

C12H16O2 — CID 11790033

IUPAC2-(3-phenylmethoxypropyl)oxirane
SMILESc1ccc(COCCCC2CO2)cc1
InChIInChI=1S/C12H16O2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-14-12/h1-3,5-6,12H,4,7-10H2
InChIKeyRXTUBUKGYMZYPJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.38
Rot. Bonds6

About 2-(3-phenylmethoxypropyl)oxirane

2-(3-phenylmethoxypropyl)oxirane (PubChem CID 11790033) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3-phenylmethoxypropyl)oxirane.

Molecular Properties

Compound Name2-(3-phenylmethoxypropyl)oxirane
PubChem CID11790033
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(3-phenylmethoxypropyl)oxirane
SMILESc1ccc(COCCCC2CO2)cc1
InChIInChI=1S/C12H16O2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-14-12/h1-3,5-6,12H,4,7-10H2
InChIKeyRXTUBUKGYMZYPJ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxypropyl)oxirane?
The IUPAC name of 2-(3-phenylmethoxypropyl)oxirane (CID 11790033) is 2-(3-phenylmethoxypropyl)oxirane.
What is the SMILES notation for 2-(3-phenylmethoxypropyl)oxirane?
The canonical SMILES for 2-(3-phenylmethoxypropyl)oxirane is c1ccc(COCCCC2CO2)cc1.
What is the InChIKey of 2-(3-phenylmethoxypropyl)oxirane?
The InChIKey is RXTUBUKGYMZYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-5-11(6-3-1)9-13-8-4-7-12-10-14-12/h1-3,5-6,12H,4,7-10H2.
What are the key properties of 2-(3-phenylmethoxypropyl)oxirane?
2-(3-phenylmethoxypropyl)oxirane has a molecular weight of 192.26 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxypropyl)oxirane is sourced from PubChem (CID 11790033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).