2-[2-(4-pentoxyphenyl)ethyl]oxirane

C15H22O2 — CID 83932604

IUPAC2-[2-(4-pentoxyphenyl)ethyl]oxirane
SMILESCCCCCOc1ccc(CCC2CO2)cc1
InChIInChI=1S/C15H22O2/c1-2-3-4-11-16-14-8-5-13(6-9-14)7-10-15-12-17-15/h5-6,8-9,15H,2-4,7,10-12H2,1H3
InChIKeyBZXSBFXLKOPRNL-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.59
Rot. Bonds8

About 2-[2-(4-pentoxyphenyl)ethyl]oxirane

2-[2-(4-pentoxyphenyl)ethyl]oxirane (PubChem CID 83932604) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(4-pentoxyphenyl)ethyl]oxirane.

Molecular Properties

Compound Name2-[2-(4-pentoxyphenyl)ethyl]oxirane
PubChem CID83932604
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[2-(4-pentoxyphenyl)ethyl]oxirane
SMILESCCCCCOc1ccc(CCC2CO2)cc1
InChIInChI=1S/C15H22O2/c1-2-3-4-11-16-14-8-5-13(6-9-14)7-10-15-12-17-15/h5-6,8-9,15H,2-4,7,10-12H2,1H3
InChIKeyBZXSBFXLKOPRNL-UHFFFAOYSA-N
XLogP3.59
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.59
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-[(4-pentoxyphenyl)methyl]oxirane
CID 173250908
2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
CID 88773200
2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-1,4-dioxane
CID 57282111
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
2-butyl-5-(4-hexoxyphenyl)-1,4-dioxane
CID 57028242
1,4-dipentoxybenzene
CID 18314717
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
2-[2-(4-propan-2-yloxyphenyl)ethyl]oxirane
CID 83932845
pentakis(4-[2-(4-hexoxyphenyl)ethyl]benzenethiol);pentahydrofluoride
CID 173376407

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pentoxyphenyl)ethyl]oxirane?
The IUPAC name of 2-[2-(4-pentoxyphenyl)ethyl]oxirane (CID 83932604) is 2-[2-(4-pentoxyphenyl)ethyl]oxirane.
What is the SMILES notation for 2-[2-(4-pentoxyphenyl)ethyl]oxirane?
The canonical SMILES for 2-[2-(4-pentoxyphenyl)ethyl]oxirane is CCCCCOc1ccc(CCC2CO2)cc1.
What is the InChIKey of 2-[2-(4-pentoxyphenyl)ethyl]oxirane?
The InChIKey is BZXSBFXLKOPRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-4-11-16-14-8-5-13(6-9-14)7-10-15-12-17-15/h5-6,8-9,15H,2-4,7,10-12H2,1H3.
What are the key properties of 2-[2-(4-pentoxyphenyl)ethyl]oxirane?
2-[2-(4-pentoxyphenyl)ethyl]oxirane has a molecular weight of 234.34 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pentoxyphenyl)ethyl]oxirane is sourced from PubChem (CID 83932604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).