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

C20H22O4 — CID 22904212

IUPAC2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
SMILESCC(c1ccccc1OCC1CO1)c1ccccc1OCC1CO1
InChIInChI=1S/C20H22O4/c1-14(17-6-2-4-8-19(17)23-12-15-10-21-15)18-7-3-5-9-20(18)24-13-16-11-22-16/h2-9,14-16H,10-13H2,1H3
InChIKeyPSDRGYGYQGTMSD-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.39
Rot. Bonds8

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

2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane (PubChem CID 22904212) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
PubChem CID22904212
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
SMILESCC(c1ccccc1OCC1CO1)c1ccccc1OCC1CO1
InChIInChI=1S/C20H22O4/c1-14(17-6-2-4-8-19(17)23-12-15-10-21-15)18-7-3-5-9-20(18)24-13-16-11-22-16/h2-9,14-16H,10-13H2,1H3
InChIKeyPSDRGYGYQGTMSD-UHFFFAOYSA-N
XLogP3.39
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.39
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]propyl]phenoxy]methyl]oxirane
CID 23044383
[dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silyl]oxy-dimethyl-[1-[2-(oxiran-2-ylmethoxy)phenyl]propyl]silane
CID 88606806
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
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[1-(2-methoxyphenyl)ethoxymethyl]oxirane
CID 22382426
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
CID 97180222
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 151987965
trimethoxy-[2-(oxiran-2-ylmethoxy)phenyl]silane
CID 19099157
2-[[2,3,4-tri(propan-2-yl)phenoxy]methyl]oxirane
CID 137441560

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane (CID 22904212) is 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane is CC(c1ccccc1OCC1CO1)c1ccccc1OCC1CO1.
What is the InChIKey of 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane?
The InChIKey is PSDRGYGYQGTMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-14(17-6-2-4-8-19(17)23-12-15-10-21-15)18-7-3-5-9-20(18)24-13-16-11-22-16/h2-9,14-16H,10-13H2,1H3.
What are the key properties of 2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane?
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane has a molecular weight of 326.39 g/mol, XLogP of 3.39, 8 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]ethyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 22904212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).