1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene

C23H28F2O2 — CID 59940202

IUPAC1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
SMILESCCCc1ccc(C(F)(F)Oc2ccc(C3CCC(OC)CC3)cc2)cc1
InChIInChI=1S/C23H28F2O2/c1-3-4-17-5-11-20(12-6-17)23(24,25)27-22-15-9-19(10-16-22)18-7-13-21(26-2)14-8-18/h5-6,9-12,15-16,18,21H,3-4,7-8,13-14H2,1-2H3
InChIKeyIAFUMNSWEYSDSI-UHFFFAOYSA-N
MW374.47 g/mol
LogP6.44
Rot. Bonds7

About 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene

1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene (PubChem CID 59940202) has the molecular formula C23H28F2O2 and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
PubChem CID59940202
Molecular FormulaC23H28F2O2
Molecular Weight374.47 g/mol
Exact Mass374.21
IUPAC Name1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
SMILESCCCc1ccc(C(F)(F)Oc2ccc(C3CCC(OC)CC3)cc2)cc1
InChIInChI=1S/C23H28F2O2/c1-3-4-17-5-11-20(12-6-17)23(24,25)27-22-15-9-19(10-16-22)18-7-13-21(26-2)14-8-18/h5-6,9-12,15-16,18,21H,3-4,7-8,13-14H2,1-2H3
InChIKeyIAFUMNSWEYSDSI-UHFFFAOYSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-[difluoro-(4-propylphenyl)methoxy]benzene
CID 22011585
2-[4-[4-[difluoro-(4-propylphenyl)methoxy]phenyl]cyclohexyl]-1,3-dioxane
CID 22011589
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
1-[difluoro-(4-hexylphenoxy)methyl]-4-[difluoro-(4-pentylphenoxy)methyl]benzene
CID 70178127
1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 22080079
4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene
CID 54046364
1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720938

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene?
The IUPAC name of 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene (CID 59940202) is 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene.
What is the SMILES notation for 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene?
The canonical SMILES for 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene is CCCc1ccc(C(F)(F)Oc2ccc(C3CCC(OC)CC3)cc2)cc1.
What is the InChIKey of 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene?
The InChIKey is IAFUMNSWEYSDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2O2/c1-3-4-17-5-11-20(12-6-17)23(24,25)27-22-15-9-19(10-16-22)18-7-13-21(26-2)14-8-18/h5-6,9-12,15-16,18,21H,3-4,7-8,13-14H2,1-2H3.
What are the key properties of 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene?
1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene has a molecular weight of 374.47 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene is sourced from PubChem (CID 59940202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).