4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol

C21H28F2O — CID 164913639

IUPAC4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
SMILESOc1ccc(C2CCC(C3CCC(C4CC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C21H28F2O/c22-20-18(11-12-19(24)21(20)23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)13-1-2-13/h11-17,24H,1-10H2
InChIKeySOWIRLMLMDJZLM-UHFFFAOYSA-N
MW334.45 g/mol
LogP6.16
Rot. Bonds3

About 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol

4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol (PubChem CID 164913639) has the molecular formula C21H28F2O and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol.

Molecular Properties

Compound Name4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
PubChem CID164913639
Molecular FormulaC21H28F2O
Molecular Weight334.45 g/mol
Exact Mass334.21
IUPAC Name4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
SMILESOc1ccc(C2CCC(C3CCC(C4CC4)CC3)CC2)c(F)c1F
InChIInChI=1S/C21H28F2O/c22-20-18(11-12-19(24)21(20)23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)13-1-2-13/h11-17,24H,1-10H2
InChIKeySOWIRLMLMDJZLM-UHFFFAOYSA-N
XLogP6.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.45
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexyl-2,3-difluorophenol
CID 134218235
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;bis(yttrium)
CID 159036951
2,3-difluoro-4-[4-(2-hydroxypropyl)cyclohexyl]phenol
CID 176902887
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
(3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid
CID 171781999
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
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
CID 58058777
4-[4-[2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluorophenyl]-2,3-difluorophenol
CID 88893763
2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol
CID 176902879
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorophenoxy]methyl]-2,3-difluorophenol
CID 122643430
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol?
The IUPAC name of 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol (CID 164913639) is 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol.
What is the SMILES notation for 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol?
The canonical SMILES for 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol is Oc1ccc(C2CCC(C3CCC(C4CC4)CC3)CC2)c(F)c1F.
What is the InChIKey of 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol?
The InChIKey is SOWIRLMLMDJZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2O/c22-20-18(11-12-19(24)21(20)23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)13-1-2-13/h11-17,24H,1-10H2.
What are the key properties of 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol?
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol has a molecular weight of 334.45 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol is sourced from PubChem (CID 164913639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).