1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene

C24H29F3O2 — CID 58141457

IUPAC1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene
SMILESCCCc1ccc(OCC2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F
InChIInChI=1S/C24H29F3O2/c1-3-5-18-10-11-19(14-21(18)25)29-15-16-6-8-17(9-7-16)20-12-13-22(28-4-2)24(27)23(20)26/h10-14,16-17H,3-9,15H2,1-2H3
InChIKeyURZHGWCBZBSDOF-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.81
Rot. Bonds8

About 1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene

1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene (PubChem CID 58141457) has the molecular formula C24H29F3O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene
PubChem CID58141457
Molecular FormulaC24H29F3O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene
SMILESCCCc1ccc(OCC2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F
InChIInChI=1S/C24H29F3O2/c1-3-5-18-10-11-19(14-21(18)25)29-15-16-6-8-17(9-7-16)20-12-13-22(28-4-2)24(27)23(20)26/h10-14,16-17H,3-9,15H2,1-2H3
InChIKeyURZHGWCBZBSDOF-UHFFFAOYSA-N
XLogP6.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene
CID 58141128
1-[4-[(4-ethenyl-3-fluorophenoxy)methyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 58141008
1-butyl-4-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-2,3-difluorobenzene
CID 58141449
1-[4-[4-[2-[4-(2,3-difluoro-4-propylphenyl)cyclohexyl]ethyl]cyclohexyl]-2,3-difluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 58453624
1-ethoxy-2,3-difluoro-4-[4-[(2-fluoro-4-propylphenyl)methoxy]cyclohexyl]benzene
CID 58141290
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
1-(4-butoxycyclohexyl)-2,3-difluoro-4-[4-[(3-fluoro-4-pent-4-enoxyphenoxy)methyl]cyclohexyl]benzene
CID 89430953
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
CID 142580919
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxycyclohexyl)phenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89429969

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene (CID 58141457) is 1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene is CCCc1ccc(OCC2CCC(c3ccc(OCC)c(F)c3F)CC2)cc1F.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene?
The InChIKey is URZHGWCBZBSDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3O2/c1-3-5-18-10-11-19(14-21(18)25)29-15-16-6-8-17(9-7-16)20-12-13-22(28-4-2)24(27)23(20)26/h10-14,16-17H,3-9,15H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene?
1-ethoxy-2,3-difluoro-4-[4-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene has a molecular weight of 406.49 g/mol, XLogP of 6.81, 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-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene is sourced from PubChem (CID 58141457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).