1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene

C22H26F2O — CID 22440333

IUPAC1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
SMILESCCCC1CCC(c2ccc(COc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H26F2O/c1-2-3-16-4-8-18(9-5-16)19-10-6-17(7-11-19)15-25-20-12-13-21(23)22(24)14-20/h6-7,10-14,16,18H,2-5,8-9,15H2,1H3
InChIKeyNOUOKKPOUKCEQA-UHFFFAOYSA-N
MW344.45 g/mol
LogP6.62
Rot. Bonds6

About 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene

1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene (PubChem CID 22440333) has the molecular formula C22H26F2O and a molecular weight of 344.45 g/mol. Its IUPAC name is 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
PubChem CID22440333
Molecular FormulaC22H26F2O
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
SMILESCCCC1CCC(c2ccc(COc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H26F2O/c1-2-3-16-4-8-18(9-5-16)19-10-6-17(7-11-19)15-25-20-12-13-21(23)22(24)14-20/h6-7,10-14,16,18H,2-5,8-9,15H2,1H3
InChIKeyNOUOKKPOUKCEQA-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene
CID 67799683
1,2-difluoro-4-[[4-(4-pentylcyclohexyl)phenoxy]methyl]benzene
CID 67797912
1,3-difluoro-5-[[4-(4-propylcyclohexyl)phenyl]methoxy]-2-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59247487
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
2,4-difluoro-1-[[4-(4-propylcyclohexyl)phenoxy]methyl]benzene
CID 67807199
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
1-fluoro-3-(4-propylcyclohexyl)-5-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 139817355
2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene
CID 154607212
1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118908560
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
CID 22080361

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene?
The IUPAC name of 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene (CID 22440333) is 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene?
The canonical SMILES for 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene is CCCC1CCC(c2ccc(COc3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene?
The InChIKey is NOUOKKPOUKCEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2O/c1-2-3-16-4-8-18(9-5-16)19-10-6-17(7-11-19)15-25-20-12-13-21(23)22(24)14-20/h6-7,10-14,16,18H,2-5,8-9,15H2,1H3.
What are the key properties of 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene?
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene has a molecular weight of 344.45 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene is sourced from PubChem (CID 22440333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).