2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)

C38H46F4O2Y2 — CID 159036951

IUPAC2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
SMILESCC1CCC(C2CCC(c3ccc(O)c(F)c3F)CC2)CC1.CC1CCC(c2ccc(-c3ccc(O)c(F)c3F)cc2)CC1.[Y].[Y]
InChIInChI=1S/C19H26F2O.C19H20F2O.2Y/c2*1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20;;/h10-15,22H,2-9H2,1H3;6-13,22H,2-5H2,1H3;;
InChIKeyALKNCKRPGHYBKN-UHFFFAOYSA-N
MW788.59 g/mol
LogP11.40
Rot. Bonds4

About 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)

2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium) (PubChem CID 159036951) has the molecular formula C38H46F4O2Y2 and a molecular weight of 788.59 g/mol. Its IUPAC name is 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium).

Molecular Properties

Compound Name2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
PubChem CID159036951
Molecular FormulaC38H46F4O2Y2
Molecular Weight788.59 g/mol
Exact Mass788.16
IUPAC Name2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
SMILESCC1CCC(C2CCC(c3ccc(O)c(F)c3F)CC2)CC1.CC1CCC(c2ccc(-c3ccc(O)c(F)c3F)cc2)CC1.[Y].[Y]
InChIInChI=1S/C19H26F2O.C19H20F2O.2Y/c2*1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20;;/h10-15,22H,2-9H2,1H3;6-13,22H,2-5H2,1H3;;
InChIKeyALKNCKRPGHYBKN-UHFFFAOYSA-N
XLogP11.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.59
LogP ≤ 511.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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-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-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
[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
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
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-(2,3-difluoro-4-hexylphenyl)phenyl]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 143773014
1-[4-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 143772982

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)?
The IUPAC name of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium) (CID 159036951) is 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium).
What is the SMILES notation for 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)?
The canonical SMILES for 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium) is CC1CCC(C2CCC(c3ccc(O)c(F)c3F)CC2)CC1.CC1CCC(c2ccc(-c3ccc(O)c(F)c3F)cc2)CC1.[Y].[Y].
What is the InChIKey of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)?
The InChIKey is ALKNCKRPGHYBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O.C19H20F2O.2Y/c2*1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20;;/h10-15,22H,2-9H2,1H3;6-13,22H,2-5H2,1H3;;.
What are the key properties of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)?
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium) has a molecular weight of 788.59 g/mol, XLogP of 11.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium) is sourced from PubChem (CID 159036951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).