[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol

C20H28F2O — CID 58058777

IUPAC[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
SMILESCc1ccc(C2CCC(C3CCC(CO)CC3)CC2)c(F)c1F
InChIInChI=1S/C20H28F2O/c1-13-2-11-18(20(22)19(13)21)17-9-7-16(8-10-17)15-5-3-14(12-23)4-6-15/h2,11,14-17,23H,3-10,12H2,1H3
InChIKeyZVKDLXHGPHXOKL-UHFFFAOYSA-N
MW322.44 g/mol
LogP5.35
Rot. Bonds3

About [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol

[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol (PubChem CID 58058777) has the molecular formula C20H28F2O and a molecular weight of 322.44 g/mol. Its IUPAC name is [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
PubChem CID58058777
Molecular FormulaC20H28F2O
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol
SMILESCc1ccc(C2CCC(C3CCC(CO)CC3)CC2)c(F)c1F
InChIInChI=1S/C20H28F2O/c1-13-2-11-18(20(22)19(13)21)17-9-7-16(8-10-17)15-5-3-14(12-23)4-6-15/h2,11,14-17,23H,3-10,12H2,1H3
InChIKeyZVKDLXHGPHXOKL-UHFFFAOYSA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-[4-[4-(cyclopentylmethyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 170391070
4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-ol
CID 58453704
2-butyl-6-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868866
2,3-difluoro-1-methyl-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene;rhenium
CID 173489359
2,3-difluoro-1-[4-[4-[(E)-6-fluorohex-3-enyl]cyclohexyl]cyclohexyl]-4-methylbenzene
CID 118316622
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730623
2,3-difluoro-1-(4-methoxycyclohexyl)-4-methylbenzene;methane
CID 158692568
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
4-[4-(3-chloro-2-fluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-amine
CID 130252791
4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol?
The IUPAC name of [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol (CID 58058777) is [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol?
The canonical SMILES for [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol is Cc1ccc(C2CCC(C3CCC(CO)CC3)CC2)c(F)c1F.
What is the InChIKey of [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol?
The InChIKey is ZVKDLXHGPHXOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2O/c1-13-2-11-18(20(22)19(13)21)17-9-7-16(8-10-17)15-5-3-14(12-23)4-6-15/h2,11,14-17,23H,3-10,12H2,1H3.
What are the key properties of [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol?
[4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol has a molecular weight of 322.44 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,3-difluoro-4-methylphenyl)cyclohexyl]cyclohexyl]methanol is sourced from PubChem (CID 58058777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).