2-(3-phenoxypropyl)oxirane

C11H14O2 — CID 23468414

IUPAC2-(3-phenoxypropyl)oxirane
SMILESc1ccc(OCCCC2CO2)cc1
InChIInChI=1S/C11H14O2/c1-2-5-10(6-3-1)12-8-4-7-11-9-13-11/h1-3,5-6,11H,4,7-9H2
InChIKeyHFAZUKLNFGKVAH-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.24
Rot. Bonds5

About 2-(3-phenoxypropyl)oxirane

2-(3-phenoxypropyl)oxirane (PubChem CID 23468414) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)oxirane.

Molecular Properties

Compound Name2-(3-phenoxypropyl)oxirane
PubChem CID23468414
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(3-phenoxypropyl)oxirane
SMILESc1ccc(OCCCC2CO2)cc1
InChIInChI=1S/C11H14O2/c1-2-5-10(6-3-1)12-8-4-7-11-9-13-11/h1-3,5-6,11H,4,7-9H2
InChIKeyHFAZUKLNFGKVAH-UHFFFAOYSA-N
XLogP2.24
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.24
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

2-[9-(4-phenylmethoxyphenoxy)nonyl]oxirane
CID 54047202
2-[6-[4-[4-[4-[6-(oxiran-2-yl)hexoxy]phenyl]phenyl]phenoxy]hexyl]oxirane
CID 87427426
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
2,6-bis[4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenoxy]pyridine
CID 87453851
3-[3-(oxiran-2-yl)propoxy]-9H-carbazole
CID 72711828
4-[4-(oxiran-2-yl)butoxy]benzaldehyde
CID 147953263
4-[4-[4-(oxiran-2-yl)butoxy]phenyl]phenol
CID 174516369
[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[3-(oxiran-2-yl)propoxy]benzoate
CID 58090323
ethoxybenzene;2-ethyloxirane
CID 160565923

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropyl)oxirane?
The IUPAC name of 2-(3-phenoxypropyl)oxirane (CID 23468414) is 2-(3-phenoxypropyl)oxirane.
What is the SMILES notation for 2-(3-phenoxypropyl)oxirane?
The canonical SMILES for 2-(3-phenoxypropyl)oxirane is c1ccc(OCCCC2CO2)cc1.
What is the InChIKey of 2-(3-phenoxypropyl)oxirane?
The InChIKey is HFAZUKLNFGKVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-5-10(6-3-1)12-8-4-7-11-9-13-11/h1-3,5-6,11H,4,7-9H2.
What are the key properties of 2-(3-phenoxypropyl)oxirane?
2-(3-phenoxypropyl)oxirane has a molecular weight of 178.23 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)oxirane is sourced from PubChem (CID 23468414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).