2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium

C81H104F8OY — CID 159840923

IUPAC2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
SMILESCC1CCC(C2CCC(C)CC2)CC1.CC1CCC(c2ccc(O)c(F)c2F)CC1.Cc1ccc(-c2ccc(C)c(F)c2F)cc1.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(F)c1F.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.[Y]
InChIInChI=1S/C20H28F2.C20H22F2.C14H12F2.C14H26.C13H16F2O.Y/c2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22;1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14;/h5,12-13,15-17H,3-4,6-11H2,1-2H3;5,8-13,15H,3-4,6-7H2,1-2H3;3-8H,1-2H3;11-14H,3-10H2,1-2H3;6-9,16H,2-5H2,1H3;
InChIKeyDXWYFCMBAWTTJG-UHFFFAOYSA-N
MW1334.61 g/mol
LogP25.46
Rot. Bonds7

About 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium

2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium (PubChem CID 159840923) has the molecular formula C81H104F8OY and a molecular weight of 1334.61 g/mol. Its IUPAC name is 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium.

Molecular Properties

Compound Name2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
PubChem CID159840923
Molecular FormulaC81H104F8OY
Molecular Weight1334.61 g/mol
Exact Mass1333.70
IUPAC Name2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
SMILESCC1CCC(C2CCC(C)CC2)CC1.CC1CCC(c2ccc(O)c(F)c2F)CC1.Cc1ccc(-c2ccc(C)c(F)c2F)cc1.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(F)c1F.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.[Y]
InChIInChI=1S/C20H28F2.C20H22F2.C14H12F2.C14H26.C13H16F2O.Y/c2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22;1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14;/h5,12-13,15-17H,3-4,6-11H2,1-2H3;5,8-13,15H,3-4,6-7H2,1-2H3;3-8H,1-2H3;11-14H,3-10H2,1-2H3;6-9,16H,2-5H2,1H3;
InChIKeyDXWYFCMBAWTTJG-UHFFFAOYSA-N
XLogP25.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001334.61
LogP ≤ 525.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium with MolForge

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Related Compounds

2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
CID 159036951
1-cyclohexyl-4-methylcyclohexane;2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;2,3-difluoro-4-(4-methylphenyl)phenol;2,3-difluoro-1-(4-methylphenyl)-4-phenylbenzene;4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;4-(4-methylcyclohexyl)phenol;octakis(yttrium)
CID 162055480
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane
CID 159164555
[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-methylbenzene;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
CID 161483988
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 159331661
3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen
CID 158037623
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144647908
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylcyclohexyl)benzene
CID 58987197
2,3-difluoro-1-methyl-4-(4-propylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-propylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-propylphenyl)benzene
CID 159473916
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;neodymium;niobium;hexakis(sodiosodium)
CID 159283283

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium?
The IUPAC name of 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium (CID 159840923) is 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium.
What is the SMILES notation for 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium?
The canonical SMILES for 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium is CC1CCC(C2CCC(C)CC2)CC1.CC1CCC(c2ccc(O)c(F)c2F)CC1.Cc1ccc(-c2ccc(C)c(F)c2F)cc1.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(F)c1F.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.[Y].
What is the InChIKey of 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium?
The InChIKey is DXWYFCMBAWTTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2.C20H22F2.C14H12F2.C14H26.C13H16F2O.Y/c2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22;1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14;/h5,12-13,15-17H,3-4,6-11H2,1-2H3;5,8-13,15H,3-4,6-7H2,1-2H3;3-8H,1-2H3;11-14H,3-10H2,1-2H3;6-9,16H,2-5H2,1H3;.
What are the key properties of 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium?
2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium has a molecular weight of 1334.61 g/mol, XLogP of 25.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;yttrium is sourced from PubChem (CID 159840923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).