3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene

C23H26ClF — CID 167572512

IUPAC3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene
SMILESCc1ccc(-c2ccc(C3CCC(C4CCC4)CC3)cc2)c(F)c1Cl
InChIInChI=1S/C23H26ClF/c1-15-5-14-21(23(25)22(15)24)20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-3-2-4-16/h5,10-14,16-18H,2-4,6-9H2,1H3
InChIKeyUPGIYIBMULOXAC-UHFFFAOYSA-N
MW356.91 g/mol
LogP7.53
Rot. Bonds3

About 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene

3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene (PubChem CID 167572512) has the molecular formula C23H26ClF and a molecular weight of 356.91 g/mol. Its IUPAC name is 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene.

Molecular Properties

Compound Name3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene
PubChem CID167572512
Molecular FormulaC23H26ClF
Molecular Weight356.91 g/mol
Exact Mass356.17
IUPAC Name3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene
SMILESCc1ccc(-c2ccc(C3CCC(C4CCC4)CC3)cc2)c(F)c1Cl
InChIInChI=1S/C23H26ClF/c1-15-5-14-21(23(25)22(15)24)20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-3-2-4-16/h5,10-14,16-18H,2-4,6-9H2,1H3
InChIKeyUPGIYIBMULOXAC-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.91
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen
CID 167700283
1-chloro-4-(4-cyclobutylcyclohexyl)benzene
CID 70797476
2,3-difluoro-1-methyl-4-[4-(4-prop-1-en-2-ylcyclohexyl)phenyl]benzene
CID 139452854
2-cyclobutyl-5-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]thiophene
CID 166999822
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
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-(3-chloro-2-fluoro-4-methylphenyl)cyclohexyl]cyclohexan-1-amine
CID 130252791
2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene
CID 171813065
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
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
[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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene?
The IUPAC name of 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene (CID 167572512) is 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene.
What is the SMILES notation for 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene?
The canonical SMILES for 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene is Cc1ccc(-c2ccc(C3CCC(C4CCC4)CC3)cc2)c(F)c1Cl.
What is the InChIKey of 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene?
The InChIKey is UPGIYIBMULOXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF/c1-15-5-14-21(23(25)22(15)24)20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-3-2-4-16/h5,10-14,16-18H,2-4,6-9H2,1H3.
What are the key properties of 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene?
3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene has a molecular weight of 356.91 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[4-(4-cyclobutylcyclohexyl)phenyl]-2-fluoro-4-methylbenzene is sourced from PubChem (CID 167572512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).