1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene

C24H28F4O — CID 58141128

IUPAC1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene
SMILESCCCc1ccc(OCC2CCC(c3ccc(CC)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C24H28F4O/c1-3-5-18-11-13-20(24(28)22(18)26)29-14-15-6-8-17(9-7-15)19-12-10-16(4-2)21(25)23(19)27/h10-13,15,17H,3-9,14H2,1-2H3
InChIKeyOHJSINZQUZYVIW-UHFFFAOYSA-N
MW408.48 g/mol
LogP7.11
Rot. Bonds7

About 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene

1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene (PubChem CID 58141128) has the molecular formula C24H28F4O and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene
PubChem CID58141128
Molecular FormulaC24H28F4O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene
SMILESCCCc1ccc(OCC2CCC(c3ccc(CC)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C24H28F4O/c1-3-5-18-11-13-20(24(28)22(18)26)29-14-15-6-8-17(9-7-15)19-12-10-16(4-2)21(25)23(19)27/h10-13,15,17H,3-9,14H2,1-2H3
InChIKeyOHJSINZQUZYVIW-UHFFFAOYSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-4-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-2,3-difluorobenzene
CID 58141449
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
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-[(3-fluoro-4-propylphenoxy)methyl]cyclohexyl]benzene
CID 58141457
1-ethyl-2,3-difluoro-4-[4-[(2-fluoro-4-methylphenoxy)methyl]cyclohexyl]benzene
CID 58141026
1-[2-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 122484819
1-[2-(2,3-difluoro-4-iodophenyl)ethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 122643391
1-ethoxy-4-[4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexylidene]cyclohexyl]-2,3-difluorobenzene
CID 126501946
1-[2-(2,3-difluoro-4-pentoxyphenyl)ethyl]-4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 122643372
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
1-[2-[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 89430825
[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl] 4-(2,3-difluoro-4-propylphenyl)cyclohexane-1-carboxylate
CID 88856422

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene?
The IUPAC name of 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene (CID 58141128) is 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene is CCCc1ccc(OCC2CCC(c3ccc(CC)c(F)c3F)CC2)c(F)c1F.
What is the InChIKey of 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene?
The InChIKey is OHJSINZQUZYVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4O/c1-3-5-18-11-13-20(24(28)22(18)26)29-14-15-6-8-17(9-7-15)19-12-10-16(4-2)21(25)23(19)27/h10-13,15,17H,3-9,14H2,1-2H3.
What are the key properties of 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene?
1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene has a molecular weight of 408.48 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-difluoro-4-propylphenoxy)methyl]cyclohexyl]-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 58141128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).