1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene

C67H98Cl4 — CID 160958151

IUPAC1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCCCCC1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29Cl.C17H25Cl.C16H23Cl.C15H21Cl/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18;1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16;1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h12-17H,2-11H2,1H3;10-15H,2-9H2,1H3;9-14H,2-8H2,1H3;8-13H,2-7H2,1H3
InChIKeySWQYJZWHRJOURT-UHFFFAOYSA-N
MW1045.33 g/mol
LogP24.39
Rot. Bonds19

About 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene

1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene (PubChem CID 160958151) has the molecular formula C67H98Cl4 and a molecular weight of 1045.33 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
PubChem CID160958151
Molecular FormulaC67H98Cl4
Molecular Weight1045.33 g/mol
Exact Mass1042.64
IUPAC Name1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCCCCC1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29Cl.C17H25Cl.C16H23Cl.C15H21Cl/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18;1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16;1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h12-17H,2-11H2,1H3;10-15H,2-9H2,1H3;9-14H,2-8H2,1H3;8-13H,2-7H2,1H3
InChIKeySWQYJZWHRJOURT-UHFFFAOYSA-N
XLogP24.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.33
LogP ≤ 524.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene with MolForge

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Related Compounds

1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748650
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-chloro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]benzene
CID 139629437
2-(4-chlorophenyl)-5-[4-(4-pentylcyclohexyl)phenyl]-1,3,4-oxadiazole
CID 3095305
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 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) is 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCCCCC1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene?
The InChIKey is SWQYJZWHRJOURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl.C17H25Cl.C16H23Cl.C15H21Cl/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18;1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16;1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h12-17H,2-11H2,1H3;10-15H,2-9H2,1H3;9-14H,2-8H2,1H3;8-13H,2-7H2,1H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene?
1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene has a molecular weight of 1045.33 g/mol, XLogP of 24.39, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 160958151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).