2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene

C17H24F2O2 — CID 90128781

IUPAC2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene
SMILESCOc1ccc(C2CCC(OCC(C)C)CC2)c(F)c1F
InChIInChI=1S/C17H24F2O2/c1-11(2)10-21-13-6-4-12(5-7-13)14-8-9-15(20-3)17(19)16(14)18/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyGBAPLLCTSNARFF-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.67
Rot. Bonds5

About 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene

2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene (PubChem CID 90128781) has the molecular formula C17H24F2O2 and a molecular weight of 298.37 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene
PubChem CID90128781
Molecular FormulaC17H24F2O2
Molecular Weight298.37 g/mol
Exact Mass298.17
IUPAC Name2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene
SMILESCOc1ccc(C2CCC(OCC(C)C)CC2)c(F)c1F
InChIInChI=1S/C17H24F2O2/c1-11(2)10-21-13-6-4-12(5-7-13)14-8-9-15(20-3)17(19)16(14)18/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyGBAPLLCTSNARFF-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
CID 20783054
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
2-[1-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]ethyl]-1,3-dioxolane
CID 141329854
1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118966982
1-[4-(4-ethenoxycyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 20783056
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
2,3-difluoro-1-methoxy-4-[4-(2-methoxyethenyl)cyclohexyl]benzene
CID 141349611
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
CID 158097848
1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118967004
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
1-[4-[(E)-but-2-enoxy]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 118302717

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene (CID 90128781) is 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene is COc1ccc(C2CCC(OCC(C)C)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene?
The InChIKey is GBAPLLCTSNARFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O2/c1-11(2)10-21-13-6-4-12(5-7-13)14-8-9-15(20-3)17(19)16(14)18/h8-9,11-13H,4-7,10H2,1-3H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene?
2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene has a molecular weight of 298.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-[4-(2-methylpropoxy)cyclohexyl]benzene is sourced from PubChem (CID 90128781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).