4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one

C21H20O8 — CID 58067944

IUPAC4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COc2ccc(Cc3ccc(OCC4COC(=O)O4)cc3)cc2)O1
InChIInChI=1S/C21H20O8/c22-20-26-12-18(28-20)10-24-16-5-1-14(2-6-16)9-15-3-7-17(8-4-15)25-11-19-13-27-21(23)29-19/h1-8,18-19H,9-13H2
InChIKeyWARRQAVIJCMRLZ-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.11
Rot. Bonds8

About 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one

4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one (PubChem CID 58067944) has the molecular formula C21H20O8 and a molecular weight of 400.38 g/mol. Its IUPAC name is 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one
PubChem CID58067944
Molecular FormulaC21H20O8
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC Name4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(COc2ccc(Cc3ccc(OCC4COC(=O)O4)cc3)cc2)O1
InChIInChI=1S/C21H20O8/c22-20-26-12-18(28-20)10-24-16-5-1-14(2-6-16)9-15-3-7-17(8-4-15)25-11-19-13-27-21(23)29-19/h1-8,18-19H,9-13H2
InChIKeyWARRQAVIJCMRLZ-UHFFFAOYSA-N
XLogP3.11
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one with MolForge

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Related Compounds

4-[(3,5-difluorophenoxy)methyl]-1,3-dioxolan-2-one
CID 132504308
4-[(4-tert-butyl-3-chlorophenoxy)methyl]-1,3-dioxolan-2-one
CID 22154164
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one
CID 171748740
5-[[4-[[4-[(2-sulfanylidene-1,3-oxathiolan-5-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-oxathiolane-2-thione
CID 102245781
2-[[3-[[4-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane;bis(2-[[3-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane);2-[[4-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 158459779
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
CID 139535336
[3-(aminomethyl)phenyl]methanamine;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;4-[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]butoxymethyl]-1,3-dioxolan-2-one
CID 158006904
4-[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]-1,3-dioxolane
CID 140578921
1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one
CID 159228900
2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[2-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 161076249

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one (CID 58067944) is 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one is O=C1OCC(COc2ccc(Cc3ccc(OCC4COC(=O)O4)cc3)cc2)O1.
What is the InChIKey of 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one?
The InChIKey is WARRQAVIJCMRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O8/c22-20-26-12-18(28-20)10-24-16-5-1-14(2-6-16)9-15-3-7-17(8-4-15)25-11-19-13-27-21(23)29-19/h1-8,18-19H,9-13H2.
What are the key properties of 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one?
4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one has a molecular weight of 400.38 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(2-oxo-1,3-dioxolan-4-yl)methoxy]phenyl]methyl]phenoxy]methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 58067944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).