2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane

C28H32F4O3 — CID 58535844

IUPAC2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane
SMILESC=CC1CCC(CCC2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CO2)CO1
InChIInChI=1S/C28H32F4O3/c1-3-19-8-5-17(15-34-19)6-9-20-10-7-18(16-35-20)21-11-12-22(26(30)25(21)29)23-13-14-24(33-4-2)28(32)27(23)31/h3,11-14,17-20H,1,4-10,15-16H2,2H3
InChIKeyOWPLOODTSMMVDY-UHFFFAOYSA-N
MW492.55 g/mol
LogP7.33
Rot. Bonds8

About 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane

2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane (PubChem CID 58535844) has the molecular formula C28H32F4O3 and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane.

Molecular Properties

Compound Name2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane
PubChem CID58535844
Molecular FormulaC28H32F4O3
Molecular Weight492.55 g/mol
Exact Mass492.23
IUPAC Name2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane
SMILESC=CC1CCC(CCC2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CO2)CO1
InChIInChI=1S/C28H32F4O3/c1-3-19-8-5-17(15-34-19)6-9-20-10-7-18(16-35-20)21-11-12-22(26(30)25(21)29)23-13-14-24(33-4-2)28(32)27(23)31/h3,11-14,17-20H,1,4-10,15-16H2,2H3
InChIKeyOWPLOODTSMMVDY-UHFFFAOYSA-N
XLogP7.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane 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-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane?
The IUPAC name of 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane (CID 58535844) is 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane.
What is the SMILES notation for 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane?
The canonical SMILES for 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane is C=CC1CCC(CCC2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CO2)CO1.
What is the InChIKey of 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane?
The InChIKey is OWPLOODTSMMVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F4O3/c1-3-19-8-5-17(15-34-19)6-9-20-10-7-18(16-35-20)21-11-12-22(26(30)25(21)29)23-13-14-24(33-4-2)28(32)27(23)31/h3,11-14,17-20H,1,4-10,15-16H2,2H3.
What are the key properties of 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane?
2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane has a molecular weight of 492.55 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]ethyl]oxane is sourced from PubChem (CID 58535844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).