2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane

C21H24O4 — CID 23044383

IUPAC2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
SMILESCCC(c1ccccc1OCC1CO1)c1ccccc1OCC1CO1
InChIInChI=1S/C21H24O4/c1-2-17(18-7-3-5-9-20(18)24-13-15-11-22-15)19-8-4-6-10-21(19)25-14-16-12-23-16/h3-10,15-17H,2,11-14H2,1H3
InChIKeyYCBWEVSPJQCORS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.78
Rot. Bonds9

About 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane

2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane (PubChem CID 23044383) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
PubChem CID23044383
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
SMILESCCC(c1ccccc1OCC1CO1)c1ccccc1OCC1CO1
InChIInChI=1S/C21H24O4/c1-2-17(18-7-3-5-9-20(18)24-13-15-11-22-15)19-8-4-6-10-21(19)25-14-16-12-23-16/h3-10,15-17H,2,11-14H2,1H3
InChIKeyYCBWEVSPJQCORS-UHFFFAOYSA-N
XLogP3.78
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
[dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 88606806
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
2-methylpropane;2-[3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propyl]oxirane;tetrakis(2-(phenoxymethyl)oxirane);2-[(2-propan-2-ylphenoxy)methyl]oxirane
CID 157435462
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
(1S)-1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-amine
CID 78932149
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
1-[2-(oxolan-2-ylmethoxy)phenyl]propan-1-ol
CID 43503555
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane (CID 23044383) is 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane is CCC(c1ccccc1OCC1CO1)c1ccccc1OCC1CO1.
What is the InChIKey of 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane?
The InChIKey is YCBWEVSPJQCORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-2-17(18-7-3-5-9-20(18)24-13-15-11-22-15)19-8-4-6-10-21(19)25-14-16-12-23-16/h3-10,15-17H,2,11-14H2,1H3.
What are the key properties of 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane?
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane has a molecular weight of 340.42 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 23044383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).