4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol

C24H36F2O — CID 23169438

IUPAC4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol
SMILESCCCCC1CCC(CCC2CCC(O)(c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C24H36F2O/c1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-13-24(27,14-12-20)21-15-22(25)17-23(26)16-21/h15-20,27H,2-14H2,1H3
InChIKeyDSFKINVFHSVKDF-UHFFFAOYSA-N
MW378.55 g/mol
LogP7.12
Rot. Bonds7

About 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol

4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol (PubChem CID 23169438) has the molecular formula C24H36F2O and a molecular weight of 378.55 g/mol. Its IUPAC name is 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol
PubChem CID23169438
Molecular FormulaC24H36F2O
Molecular Weight378.55 g/mol
Exact Mass378.27
IUPAC Name4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol
SMILESCCCCC1CCC(CCC2CCC(O)(c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C24H36F2O/c1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-13-24(27,14-12-20)21-15-22(25)17-23(26)16-21/h15-20,27H,2-14H2,1H3
InChIKeyDSFKINVFHSVKDF-UHFFFAOYSA-N
XLogP7.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
CID 141296456
1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene
CID 163864644
1-fluoro-3-[1-(3-fluorophenyl)-4-heptylcyclohexyl]benzene
CID 22420527
1-bromo-3-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-5-fluorobenzene
CID 79698209
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139691903
1-[2-(4-butyl-4-ethylcyclohexyl)ethyl]-3,5-difluorobenzene
CID 140978413
1-(3-methylphenyl)-4-propylcyclohexan-1-ol
CID 60794525
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
1-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-2-chloro-4-fluorobenzene
CID 66034851
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
4-pentyl-1-(3,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 57165971

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol?
The IUPAC name of 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol (CID 23169438) is 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol is CCCCC1CCC(CCC2CCC(O)(c3cc(F)cc(F)c3)CC2)CC1.
What is the InChIKey of 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol?
The InChIKey is DSFKINVFHSVKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2O/c1-2-3-4-18-5-7-19(8-6-18)9-10-20-11-13-24(27,14-12-20)21-15-22(25)17-23(26)16-21/h15-20,27H,2-14H2,1H3.
What are the key properties of 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol?
4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol has a molecular weight of 378.55 g/mol, XLogP of 7.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butylcyclohexyl)ethyl]-1-(3,5-difluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 23169438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).