4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene

C23H28F2O — CID 67799683

IUPAC4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene
SMILESCCCCC1CCC(c2ccc(OCc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C23H28F2O/c1-2-3-4-17-5-8-19(9-6-17)20-10-12-21(13-11-20)26-16-18-7-14-22(24)23(25)15-18/h7,10-15,17,19H,2-6,8-9,16H2,1H3
InChIKeyXVDLTQXGYZYXAK-UHFFFAOYSA-N
MW358.47 g/mol
LogP7.01
Rot. Bonds7

About 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene

4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene (PubChem CID 67799683) has the molecular formula C23H28F2O and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene
PubChem CID67799683
Molecular FormulaC23H28F2O
Molecular Weight358.47 g/mol
Exact Mass358.21
IUPAC Name4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene
SMILESCCCCC1CCC(c2ccc(OCc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C23H28F2O/c1-2-3-4-17-5-8-19(9-6-17)20-10-12-21(13-11-20)26-16-18-7-14-22(24)23(25)15-18/h7,10-15,17,19H,2-6,8-9,16H2,1H3
InChIKeyXVDLTQXGYZYXAK-UHFFFAOYSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene
CID 67797912
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
pentakis(4-[[4-(4-butylcyclohexyl)phenyl]methoxy]benzenethiol);pentahydrofluoride
CID 173376017
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-(4-pentylcyclohexyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 19021199
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
pentafluoro-[4-[[4-(4-octylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523413
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene?
The IUPAC name of 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene (CID 67799683) is 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene is CCCCC1CCC(c2ccc(OCc3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene?
The InChIKey is XVDLTQXGYZYXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2O/c1-2-3-4-17-5-8-19(9-6-17)20-10-12-21(13-11-20)26-16-18-7-14-22(24)23(25)15-18/h7,10-15,17,19H,2-6,8-9,16H2,1H3.
What are the key properties of 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene?
4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene has a molecular weight of 358.47 g/mol, XLogP of 7.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene is sourced from PubChem (CID 67799683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).