1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene

C24H36F2O2 — CID 19609416

IUPAC1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H36F2O2/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h14-15,17-20H,3-13,16H2,1-2H3
InChIKeyQSYXKGQRJHEOEK-UHFFFAOYSA-N
MW394.55 g/mol
LogP7.16
Rot. Bonds8

About 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene

1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene (PubChem CID 19609416) has the molecular formula C24H36F2O2 and a molecular weight of 394.55 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
PubChem CID19609416
Molecular FormulaC24H36F2O2
Molecular Weight394.55 g/mol
Exact Mass394.27
IUPAC Name1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H36F2O2/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h14-15,17-20H,3-13,16H2,1-2H3
InChIKeyQSYXKGQRJHEOEK-UHFFFAOYSA-N
XLogP7.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.55
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene (CID 19609416) is 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene is CCCC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene?
The InChIKey is QSYXKGQRJHEOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2O2/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)16-28-22-15-14-21(27-4-2)23(25)24(22)26/h14-15,17-20H,3-13,16H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene?
1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene has a molecular weight of 394.55 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene is sourced from PubChem (CID 19609416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).