2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane

C13H18O3 — CID 88773200

IUPAC2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
SMILESCOCCOc1ccc(CCC2CO2)cc1
InChIInChI=1S/C13H18O3/c1-14-8-9-15-12-5-2-11(3-6-12)4-7-13-10-16-13/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyCFLGOCQBESGTBU-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.04
Rot. Bonds7

About 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane

2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane (PubChem CID 88773200) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
PubChem CID88773200
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane
SMILESCOCCOc1ccc(CCC2CO2)cc1
InChIInChI=1S/C13H18O3/c1-14-8-9-15-12-5-2-11(3-6-12)4-7-13-10-16-13/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyCFLGOCQBESGTBU-UHFFFAOYSA-N
XLogP2.04
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(4-pentoxyphenyl)ethyl]oxirane
CID 83932604
4-[2-[4-(2-methoxyethoxy)phenyl]ethyl]piperidine
CID 165416914
2-[2-(4-propan-2-yloxyphenyl)ethyl]oxirane
CID 83932845
2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]phenoxy]oxirane
CID 20764816
5-O-[4-[2-(oxiran-2-yl)ethyl]phenyl] 2-O-[4-(oxiran-2-ylmethoxy)phenyl] 1,3,4-oxadiazole-2,5-dicarboxylate
CID 166979257
2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-1,4-dioxane
CID 57282111
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
2-[2-[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]ethyl]oxirane
CID 139443809
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
bis[4-[2-(oxiran-2-yl)ethyl]phenyl]methanone
CID 22123760
3-[4-(2-methoxyethoxy)phenyl]propanenitrile
CID 98014003
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane?
The IUPAC name of 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane (CID 88773200) is 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane.
What is the SMILES notation for 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane?
The canonical SMILES for 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane is COCCOc1ccc(CCC2CO2)cc1.
What is the InChIKey of 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane?
The InChIKey is CFLGOCQBESGTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-14-8-9-15-12-5-2-11(3-6-12)4-7-13-10-16-13/h2-3,5-6,13H,4,7-10H2,1H3.
What are the key properties of 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane?
2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane has a molecular weight of 222.28 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyethoxy)phenyl]ethyl]oxirane is sourced from PubChem (CID 88773200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).