2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene

C20H23FO — CID 126651890

IUPAC2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
SMILESCc1ccc(Oc2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C20H23FO/c1-14-3-6-16(7-4-14)17-8-11-18(12-9-17)22-19-10-5-15(2)20(21)13-19/h5,8-14,16H,3-4,6-7H2,1-2H3
InChIKeyIMTOORGCYWZCHN-UHFFFAOYSA-N
MW298.40 g/mol
LogP6.22
Rot. Bonds3

About 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene

2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene (PubChem CID 126651890) has the molecular formula C20H23FO and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
PubChem CID126651890
Molecular FormulaC20H23FO
Molecular Weight298.40 g/mol
Exact Mass298.17
IUPAC Name2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
SMILESCc1ccc(Oc2ccc(C3CCC(C)CC3)cc2)cc1F
InChIInChI=1S/C20H23FO/c1-14-3-6-16(7-4-14)17-8-11-18(12-9-17)22-19-10-5-15(2)20(21)13-19/h5,8-14,16H,3-4,6-7H2,1-2H3
InChIKeyIMTOORGCYWZCHN-UHFFFAOYSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.40
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
difluoromethane;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene
CID 123965488
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)
CID 161434306
5-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]benzene-1,3-diamine
CID 58479203
1,3-difluoro-2-methyl-5-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118908560
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene (CID 126651890) is 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene is Cc1ccc(Oc2ccc(C3CCC(C)CC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene?
The InChIKey is IMTOORGCYWZCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO/c1-14-3-6-16(7-4-14)17-8-11-18(12-9-17)22-19-10-5-15(2)20(21)13-19/h5,8-14,16H,3-4,6-7H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene?
2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene has a molecular weight of 298.40 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenoxy]benzene is sourced from PubChem (CID 126651890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).