1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane

C24H32F2O — CID 155573184

IUPAC1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane
SMILESCC.Cc1cc(-c2ccc(C3CCC(C)CC3)cc2C)ccc1OC(F)F
InChIInChI=1S/C22H26F2O.C2H6/c1-14-4-6-17(7-5-14)18-8-10-20(15(2)12-18)19-9-11-21(16(3)13-19)25-22(23)24;1-2/h8-14,17,22H,4-7H2,1-3H3;1-2H3
InChIKeyAJVWBUHZPNJNEH-UHFFFAOYSA-N
MW374.52 g/mol
LogP7.89
Rot. Bonds4

About 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane

1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane (PubChem CID 155573184) has the molecular formula C24H32F2O and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane
PubChem CID155573184
Molecular FormulaC24H32F2O
Molecular Weight374.52 g/mol
Exact Mass374.24
IUPAC Name1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane
SMILESCC.Cc1cc(-c2ccc(C3CCC(C)CC3)cc2C)ccc1OC(F)F
InChIInChI=1S/C22H26F2O.C2H6/c1-14-4-6-17(7-5-14)18-8-10-20(15(2)12-18)19-9-11-21(16(3)13-19)25-22(23)24;1-2/h8-14,17,22H,4-7H2,1-3H3;1-2H3
InChIKeyAJVWBUHZPNJNEH-UHFFFAOYSA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane?
The IUPAC name of 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane (CID 155573184) is 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane.
What is the SMILES notation for 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane?
The canonical SMILES for 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane is CC.Cc1cc(-c2ccc(C3CCC(C)CC3)cc2C)ccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane?
The InChIKey is AJVWBUHZPNJNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2O.C2H6/c1-14-4-6-17(7-5-14)18-8-10-20(15(2)12-18)19-9-11-21(16(3)13-19)25-22(23)24;1-2/h8-14,17,22H,4-7H2,1-3H3;1-2H3.
What are the key properties of 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane?
1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane has a molecular weight of 374.52 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-methyl-4-[2-methyl-4-(4-methylcyclohexyl)phenyl]benzene;ethane is sourced from PubChem (CID 155573184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).