oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate

C14H16O5 — CID 174203610

IUPACoxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
SMILESO=C(Cc1ccc(OCC2CO2)cc1)OCC1CO1
InChIInChI=1S/C14H16O5/c15-14(19-9-13-8-18-13)5-10-1-3-11(4-2-10)16-6-12-7-17-12/h1-4,12-13H,5-9H2
InChIKeyNIRPXIAVNQATPK-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.95
Rot. Bonds7

About oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate

oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate (PubChem CID 174203610) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
PubChem CID174203610
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameoxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
SMILESO=C(Cc1ccc(OCC2CO2)cc1)OCC1CO1
InChIInChI=1S/C14H16O5/c15-14(19-9-13-8-18-13)5-10-1-3-11(4-2-10)16-6-12-7-17-12/h1-4,12-13H,5-9H2
InChIKeyNIRPXIAVNQATPK-UHFFFAOYSA-N
XLogP0.95
TPSA60.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-oxiran-2-yl]methyl 2-(4-benzylphenyl)acetate
CID 56950595
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate
CID 162782627
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate
CID 15034748
CID 59015330
CID 59015330
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
bis[4-(oxiran-2-ylmethoxy)phenyl] benzene-1,4-dicarboxylate
CID 101169143
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
[4-[[4-(oxiran-2-ylmethoxycarbonyloxy)phenyl]methyl]phenyl] oxiran-2-ylmethyl carbonate
CID 153268140

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate?
The IUPAC name of oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate (CID 174203610) is oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate.
What is the SMILES notation for oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate?
The canonical SMILES for oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate is O=C(Cc1ccc(OCC2CO2)cc1)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate?
The InChIKey is NIRPXIAVNQATPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c15-14(19-9-13-8-18-13)5-10-1-3-11(4-2-10)16-6-12-7-17-12/h1-4,12-13H,5-9H2.
What are the key properties of oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate?
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate has a molecular weight of 264.28 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate is sourced from PubChem (CID 174203610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).