5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane

C30H38F4O2 — CID 58535630

IUPAC5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CO2)CC1
InChIInChI=1S/C30H38F4O2/c1-3-5-19-6-10-21(11-7-19)25-16-9-20(18-36-25)8-12-22-13-14-23(28(32)27(22)31)24-15-17-26(35-4-2)30(34)29(24)33/h13-15,17,19-21,25H,3-12,16,18H2,1-2H3
InChIKeyVPLMIULIRZUHAU-UHFFFAOYSA-N
MW506.62 g/mol
LogP8.64
Rot. Bonds9

About 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane

5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane (PubChem CID 58535630) has the molecular formula C30H38F4O2 and a molecular weight of 506.62 g/mol. Its IUPAC name is 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane.

Molecular Properties

Compound Name5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane
PubChem CID58535630
Molecular FormulaC30H38F4O2
Molecular Weight506.62 g/mol
Exact Mass506.28
IUPAC Name5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CO2)CC1
InChIInChI=1S/C30H38F4O2/c1-3-5-19-6-10-21(11-7-19)25-16-9-20(18-36-25)8-12-22-13-14-23(28(32)27(22)31)24-15-17-26(35-4-2)30(34)29(24)33/h13-15,17,19-21,25H,3-12,16,18H2,1-2H3
InChIKeyVPLMIULIRZUHAU-UHFFFAOYSA-N
XLogP8.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.62
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane with MolForge

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Related Compounds

2-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-5-(5-propyloxan-2-yl)oxane
CID 58535519
2-(4-ethenylcyclohexyl)-5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]oxane
CID 58535498
5-ethenyl-2-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]oxane
CID 58535399
5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(6-prop-1-enyloxan-3-yl)oxane
CID 76816007
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)phenyl]benzene
CID 58953404
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056
2-[5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxan-2-yl]-5-propyloxane
CID 58535700
1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 67896108
5-but-3-enyl-2-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2,3-difluorophenyl]ethyl]oxane
CID 58535707
5-[4-[2-(4-butoxy-2,3-difluorophenyl)ethyl]cyclohexyl]-2-[4-[(E)-pent-3-enyl]cyclohexyl]oxane
CID 154607209
1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
CID 58953172

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane?
The IUPAC name of 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane (CID 58535630) is 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane.
What is the SMILES notation for 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane?
The canonical SMILES for 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane is CCCC1CCC(C2CCC(CCc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CO2)CC1.
What is the InChIKey of 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane?
The InChIKey is VPLMIULIRZUHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F4O2/c1-3-5-19-6-10-21(11-7-19)25-16-9-20(18-36-25)8-12-22-13-14-23(28(32)27(22)31)24-15-17-26(35-4-2)30(34)29(24)33/h13-15,17,19-21,25H,3-12,16,18H2,1-2H3.
What are the key properties of 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane?
5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane has a molecular weight of 506.62 g/mol, XLogP of 8.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane is sourced from PubChem (CID 58535630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).