2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane

C26H34O7 — CID 155665805

IUPAC2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane
SMILESCOCOc1cccc(C2(OC3(c4cccc(OCOC)c4)CCCCO3)CCCCO2)c1
InChIInChI=1S/C26H34O7/c1-27-19-29-23-11-7-9-21(17-23)25(13-3-5-15-31-25)33-26(14-4-6-16-32-26)22-10-8-12-24(18-22)30-20-28-2/h7-12,17-18H,3-6,13-16,19-20H2,1-2H3
InChIKeyXOIVNVFLBDRJTC-UHFFFAOYSA-N
MW458.55 g/mol
LogP5.08
Rot. Bonds10

About 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane

2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane (PubChem CID 155665805) has the molecular formula C26H34O7 and a molecular weight of 458.55 g/mol. Its IUPAC name is 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane
PubChem CID155665805
Molecular FormulaC26H34O7
Molecular Weight458.55 g/mol
Exact Mass458.23
IUPAC Name2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane
SMILESCOCOc1cccc(C2(OC3(c4cccc(OCOC)c4)CCCCO3)CCCCO2)c1
InChIInChI=1S/C26H34O7/c1-27-19-29-23-11-7-9-21(17-23)25(13-3-5-15-31-25)33-26(14-4-6-16-32-26)22-10-8-12-24(18-22)30-20-28-2/h7-12,17-18H,3-6,13-16,19-20H2,1-2H3
InChIKeyXOIVNVFLBDRJTC-UHFFFAOYSA-N
XLogP5.08
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane?
The IUPAC name of 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane (CID 155665805) is 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane.
What is the SMILES notation for 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane?
The canonical SMILES for 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane is COCOc1cccc(C2(OC3(c4cccc(OCOC)c4)CCCCO3)CCCCO2)c1.
What is the InChIKey of 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane?
The InChIKey is XOIVNVFLBDRJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O7/c1-27-19-29-23-11-7-9-21(17-23)25(13-3-5-15-31-25)33-26(14-4-6-16-32-26)22-10-8-12-24(18-22)30-20-28-2/h7-12,17-18H,3-6,13-16,19-20H2,1-2H3.
What are the key properties of 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane?
2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane has a molecular weight of 458.55 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethoxy)phenyl]-2-[2-[3-(methoxymethoxy)phenyl]oxan-2-yl]oxyoxane is sourced from PubChem (CID 155665805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).