3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol

C20H26O8 — CID 24843324

IUPAC3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
SMILESOCC(O)COc1ccccc1OCCOc1ccccc1OCC(O)CO
InChIInChI=1S/C20H26O8/c21-11-15(23)13-27-19-7-3-1-5-17(19)25-9-10-26-18-6-2-4-8-20(18)28-14-16(24)12-22/h1-8,15-16,21-24H,9-14H2
InChIKeyJBKCNAIOCYYXIH-UHFFFAOYSA-N
MW394.42 g/mol
LogP0.61
Rot. Bonds13

About 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol

3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol (PubChem CID 24843324) has the molecular formula C20H26O8 and a molecular weight of 394.42 g/mol. Its IUPAC name is 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
PubChem CID24843324
Molecular FormulaC20H26O8
Molecular Weight394.42 g/mol
Exact Mass394.16
IUPAC Name3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
SMILESOCC(O)COc1ccccc1OCCOc1ccccc1OCC(O)CO
InChIInChI=1S/C20H26O8/c21-11-15(23)13-27-19-7-3-1-5-17(19)25-9-10-26-18-6-2-4-8-20(18)28-14-16(24)12-22/h1-8,15-16,21-24H,9-14H2
InChIKeyJBKCNAIOCYYXIH-UHFFFAOYSA-N
XLogP0.61
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol (CID 24843324) is 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol is OCC(O)COc1ccccc1OCCOc1ccccc1OCC(O)CO.
What is the InChIKey of 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol?
The InChIKey is JBKCNAIOCYYXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O8/c21-11-15(23)13-27-19-7-3-1-5-17(19)25-9-10-26-18-6-2-4-8-20(18)28-14-16(24)12-22/h1-8,15-16,21-24H,9-14H2.
What are the key properties of 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol?
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol has a molecular weight of 394.42 g/mol, XLogP of 0.61, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol is sourced from PubChem (CID 24843324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).