1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene

C23H28F2O — CID 67571251

IUPAC1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccccc2-c2cc(F)c(COC)c(F)c2)CC1
InChIInChI=1S/C23H28F2O/c1-3-6-16-9-11-17(12-10-16)19-7-4-5-8-20(19)18-13-22(24)21(15-26-2)23(25)14-18/h4-5,7-8,13-14,16-17H,3,6,9-12,15H2,1-2H3
InChIKeyXLQIMUJGHIGRNJ-UHFFFAOYSA-N
MW358.47 g/mol
LogP6.85
Rot. Bonds6

About 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene

1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 67571251) has the molecular formula C23H28F2O and a molecular weight of 358.47 g/mol. Its IUPAC name is 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene
PubChem CID67571251
Molecular FormulaC23H28F2O
Molecular Weight358.47 g/mol
Exact Mass358.21
IUPAC Name1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccccc2-c2cc(F)c(COC)c(F)c2)CC1
InChIInChI=1S/C23H28F2O/c1-3-6-16-9-11-17(12-10-16)19-7-4-5-8-20(19)18-13-22(24)21(15-26-2)23(25)14-18/h4-5,7-8,13-14,16-17H,3,6,9-12,15H2,1-2H3
InChIKeyXLQIMUJGHIGRNJ-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene
CID 67571729
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 22131655
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
5-[2-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 22883425
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene
CID 154421706
1-(4-butylcyclohexyl)-3,4-difluoro-5-methoxy-2-(methoxymethyl)benzene
CID 161479920
2-fluoro-4-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene
CID 22131663
1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene
CID 175593221
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
2-fluoro-1-[3-fluoro-4-(4-propylcyclohexyl)phenyl]-4-[4-[4-(3-methoxypropyl)cyclohexyl]butyl]benzene
CID 23297316

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene (CID 67571251) is 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccccc2-c2cc(F)c(COC)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is XLQIMUJGHIGRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2O/c1-3-6-16-9-11-17(12-10-16)19-7-4-5-8-20(19)18-13-22(24)21(15-26-2)23(25)14-18/h4-5,7-8,13-14,16-17H,3,6,9-12,15H2,1-2H3.
What are the key properties of 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene?
1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 358.47 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 67571251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).