1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol

C20H26O6 — CID 174738716

IUPAC1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol
SMILESC=Cc1cc(C(O)CC2CO2)c(C(O)CC2CO2)c(C(O)CC2CO2)c1
InChIInChI=1S/C20H26O6/c1-2-11-3-15(17(21)5-12-8-24-12)20(19(23)7-14-10-26-14)16(4-11)18(22)6-13-9-25-13/h2-4,12-14,17-19,21-23H,1,5-10H2
InChIKeyMDKKMXGLZGNBKL-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.80
Rot. Bonds10

About 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol

1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol (PubChem CID 174738716) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol.

Molecular Properties

Compound Name1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol
PubChem CID174738716
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol
SMILESC=Cc1cc(C(O)CC2CO2)c(C(O)CC2CO2)c(C(O)CC2CO2)c1
InChIInChI=1S/C20H26O6/c1-2-11-3-15(17(21)5-12-8-24-12)20(19(23)7-14-10-26-14)16(4-11)18(22)6-13-9-25-13/h2-4,12-14,17-19,21-23H,1,5-10H2
InChIKeyMDKKMXGLZGNBKL-UHFFFAOYSA-N
XLogP1.80
TPSA98.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol?
The IUPAC name of 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol (CID 174738716) is 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol.
What is the SMILES notation for 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol?
The canonical SMILES for 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol is C=Cc1cc(C(O)CC2CO2)c(C(O)CC2CO2)c(C(O)CC2CO2)c1.
What is the InChIKey of 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol?
The InChIKey is MDKKMXGLZGNBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-2-11-3-15(17(21)5-12-8-24-12)20(19(23)7-14-10-26-14)16(4-11)18(22)6-13-9-25-13/h2-4,12-14,17-19,21-23H,1,5-10H2.
What are the key properties of 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol?
1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol has a molecular weight of 362.42 g/mol, XLogP of 1.80, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethenyl-2,3-bis[1-hydroxy-2-(oxiran-2-yl)ethyl]phenyl]-2-(oxiran-2-yl)ethanol is sourced from PubChem (CID 174738716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).