2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane

C25H32O4 — CID 87442298

IUPAC2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane
SMILESCc1cc(Cc2cc(C)c(OCCC3CO3)c(C)c2)cc(C)c1OCCC1CO1
InChIInChI=1S/C25H32O4/c1-16-9-20(10-17(2)24(16)26-7-5-22-14-28-22)13-21-11-18(3)25(19(4)12-21)27-8-6-23-15-29-23/h9-12,22-23H,5-8,13-15H2,1-4H3
InChIKeyUEOAARBIULDUKV-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.85
Rot. Bonds10

About 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane

2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane (PubChem CID 87442298) has the molecular formula C25H32O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane.

Molecular Properties

Compound Name2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane
PubChem CID87442298
Molecular FormulaC25H32O4
Molecular Weight396.53 g/mol
Exact Mass396.23
IUPAC Name2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane
SMILESCc1cc(Cc2cc(C)c(OCCC3CO3)c(C)c2)cc(C)c1OCCC1CO1
InChIInChI=1S/C25H32O4/c1-16-9-20(10-17(2)24(16)26-7-5-22-14-28-22)13-21-11-18(3)25(19(4)12-21)27-8-6-23-15-29-23/h9-12,22-23H,5-8,13-15H2,1-4H3
InChIKeyUEOAARBIULDUKV-UHFFFAOYSA-N
XLogP4.85
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane 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 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane?
The IUPAC name of 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane (CID 87442298) is 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane.
What is the SMILES notation for 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane?
The canonical SMILES for 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane is Cc1cc(Cc2cc(C)c(OCCC3CO3)c(C)c2)cc(C)c1OCCC1CO1.
What is the InChIKey of 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane?
The InChIKey is UEOAARBIULDUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O4/c1-16-9-20(10-17(2)24(16)26-7-5-22-14-28-22)13-21-11-18(3)25(19(4)12-21)27-8-6-23-15-29-23/h9-12,22-23H,5-8,13-15H2,1-4H3.
What are the key properties of 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane?
2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane has a molecular weight of 396.53 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[3,5-dimethyl-4-[2-(oxiran-2-yl)ethoxy]phenyl]methyl]-2,6-dimethylphenoxy]ethyl]oxirane is sourced from PubChem (CID 87442298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).