1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene

C21H25Cl — CID 118912523

IUPAC1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H25Cl/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h8-17H,2-7H2,1H3
InChIKeyLZYSEYYGDKAHSJ-UHFFFAOYSA-N
MW312.88 g/mol
LogP7.08
Rot. Bonds4

About 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene

1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 118912523) has the molecular formula C21H25Cl and a molecular weight of 312.88 g/mol. Its IUPAC name is 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID118912523
Molecular FormulaC21H25Cl
Molecular Weight312.88 g/mol
Exact Mass312.16
IUPAC Name1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H25Cl/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h8-17H,2-7H2,1H3
InChIKeyLZYSEYYGDKAHSJ-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.88
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
1-[4-(2-bromoethyl)cyclohexyl]-4-(4-chlorophenyl)benzene
CID 23364861
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54067509
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(2-chloroethynyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 19777678
1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 160557859
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene (CID 118912523) is 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is LZYSEYYGDKAHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20/h8-17H,2-7H2,1H3.
What are the key properties of 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene?
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 312.88 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 118912523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).