2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene

C31H36F2O — CID 154607212

IUPAC2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene
SMILESCCCc1ccc(-c2ccc(OCc3ccc(C4CCC(CCC)CC4)cc3)cc2)c(F)c1F
InChIInChI=1S/C31H36F2O/c1-3-5-22-7-11-24(12-8-22)25-13-9-23(10-14-25)21-34-28-18-15-26(16-19-28)29-20-17-27(6-4-2)30(32)31(29)33/h9-10,13-20,22,24H,3-8,11-12,21H2,1-2H3
InChIKeyOSYQZQJPJQEJDL-UHFFFAOYSA-N
MW462.62 g/mol
LogP9.24
Rot. Bonds9

About 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene

2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene (PubChem CID 154607212) has the molecular formula C31H36F2O and a molecular weight of 462.62 g/mol. Its IUPAC name is 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene
PubChem CID154607212
Molecular FormulaC31H36F2O
Molecular Weight462.62 g/mol
Exact Mass462.27
IUPAC Name2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene
SMILESCCCc1ccc(-c2ccc(OCc3ccc(C4CCC(CCC)CC4)cc3)cc2)c(F)c1F
InChIInChI=1S/C31H36F2O/c1-3-5-22-7-11-24(12-8-22)25-13-9-23(10-14-25)21-34-28-18-15-26(16-19-28)29-20-17-27(6-4-2)30(32)31(29)33/h9-10,13-20,22,24H,3-8,11-12,21H2,1-2H3
InChIKeyOSYQZQJPJQEJDL-UHFFFAOYSA-N
XLogP9.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene with MolForge

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Related Compounds

2,3-difluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118858776
1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 67895695
1-[4-(3-butylcyclopentyl)phenyl]-2,3-difluoro-4-propylbenzene
CID 58555640
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
1-butoxy-2,3-difluoro-4-[4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 154607360
1-[3,3-difluoro-3-[3-fluoro-4-(trifluoromethoxy)phenoxy]propyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118858844
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
CID 22080361
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
CID 67729720
2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 134358507
2,3-difluoro-1-[4-[(3-fluoro-4-propylphenoxy)methyl]phenyl]-4-pentylbenzene
CID 58141396

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene?
The IUPAC name of 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene (CID 154607212) is 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene?
The canonical SMILES for 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene is CCCc1ccc(-c2ccc(OCc3ccc(C4CCC(CCC)CC4)cc3)cc2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene?
The InChIKey is OSYQZQJPJQEJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F2O/c1-3-5-22-7-11-24(12-8-22)25-13-9-23(10-14-25)21-34-28-18-15-26(16-19-28)29-20-17-27(6-4-2)30(32)31(29)33/h9-10,13-20,22,24H,3-8,11-12,21H2,1-2H3.
What are the key properties of 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene?
2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene has a molecular weight of 462.62 g/mol, XLogP of 9.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene is sourced from PubChem (CID 154607212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).