1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene

C23H27F3O2 — CID 58141585

IUPAC1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
SMILESCCOCc1ccc(C2CCC(OCc3ccc(C)c(F)c3F)CC2)cc1F
InChIInChI=1S/C23H27F3O2/c1-3-27-13-18-7-6-17(12-21(18)24)16-8-10-20(11-9-16)28-14-19-5-4-15(2)22(25)23(19)26/h4-7,12,16,20H,3,8-11,13-14H2,1-2H3
InChIKeyIHKHKDQWLOZXCG-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.19
Rot. Bonds7

About 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene

1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene (PubChem CID 58141585) has the molecular formula C23H27F3O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
PubChem CID58141585
Molecular FormulaC23H27F3O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
SMILESCCOCc1ccc(C2CCC(OCc3ccc(C)c(F)c3F)CC2)cc1F
InChIInChI=1S/C23H27F3O2/c1-3-27-13-18-7-6-17(12-21(18)24)16-8-10-20(11-9-16)28-14-19-5-4-15(2)22(25)23(19)26/h4-7,12,16,20H,3,8-11,13-14H2,1-2H3
InChIKeyIHKHKDQWLOZXCG-UHFFFAOYSA-N
XLogP6.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene with MolForge

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Related Compounds

2,3-difluoro-1-[[4-(3-fluoro-4-pentoxyphenyl)cyclohexyl]oxymethyl]-4-methylbenzene
CID 58140629
1-[[4-(4-ethyl-2-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 58141630
2-[4-[4-[[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]methoxy]cyclohexyl]-2-fluorophenyl]oxirane
CID 89124595
1-[4-[[4-(ethoxymethyl)-2-fluorophenyl]methoxy]cyclohexyl]-2,3-difluoro-4-(4-methoxycyclohexyl)benzene
CID 70946173
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]oxymethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429667
4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane
CID 168922268
1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
CID 58141163
4-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]ethynyl]-2,3-difluorophenol
CID 70820074
1-[4-[2-(2,3-difluoro-4-methylphenyl)ethyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 58141211
1-[[4-(4-butoxy-3-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 89430279
1-[4-[4-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]oxymethyl]-2,3-difluorophenyl]phenyl]butan-1-ol
CID 70946072
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene (CID 58141585) is 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene is CCOCc1ccc(C2CCC(OCc3ccc(C)c(F)c3F)CC2)cc1F.
What is the InChIKey of 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is IHKHKDQWLOZXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O2/c1-3-27-13-18-7-6-17(12-21(18)24)16-8-10-20(11-9-16)28-14-19-5-4-15(2)22(25)23(19)26/h4-7,12,16,20H,3,8-11,13-14H2,1-2H3.
What are the key properties of 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene?
1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 392.46 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 58141585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).