1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene

C120H154 — CID 161465847

IUPAC1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
SMILESC.CCCCCC1CCC(c2ccc(-c3ccc(C)cc3)cc2)CC1.CCCCCCC1CCC(c2ccc(C)cc2)CC1.CCCCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H32.C24H26.C20H26.C19H30.C18H22.C14H14.CH4/c2*1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21;1-3-4-5-6-7-8-18-11-15-20(16-12-18)19-13-9-17(2)10-14-19;1-3-4-5-6-7-17-10-14-19(15-11-17)18-12-8-16(2)9-13-18;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;/h7-8,11-12,15-18,20,22H,3-6,9-10,13-14H2,1-2H3;7-18H,3-6H2,1-2H3;9-16H,3-8H2,1-2H3;8-9,12-13,17,19H,3-7,10-11,14-15H2,1-2H3;7-14H,3-6H2,1-2H3;3-10H,1-2H3;1H4
InChIKeyWCKPTFUITQMKRF-UHFFFAOYSA-N
MW1596.55 g/mol
LogP36.99
Rot. Bonds31

About 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene

1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene (PubChem CID 161465847) has the molecular formula C120H154 and a molecular weight of 1596.55 g/mol. Its IUPAC name is 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
PubChem CID161465847
Molecular FormulaC120H154
Molecular Weight1596.55 g/mol
Exact Mass1595.21
IUPAC Name1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
SMILESC.CCCCCC1CCC(c2ccc(-c3ccc(C)cc3)cc2)CC1.CCCCCCC1CCC(c2ccc(C)cc2)CC1.CCCCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H32.C24H26.C20H26.C19H30.C18H22.C14H14.CH4/c2*1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21;1-3-4-5-6-7-8-18-11-15-20(16-12-18)19-13-9-17(2)10-14-19;1-3-4-5-6-7-17-10-14-19(15-11-17)18-12-8-16(2)9-13-18;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;/h7-8,11-12,15-18,20,22H,3-6,9-10,13-14H2,1-2H3;7-18H,3-6H2,1-2H3;9-16H,3-8H2,1-2H3;8-9,12-13,17,19H,3-7,10-11,14-15H2,1-2H3;7-14H,3-6H2,1-2H3;3-10H,1-2H3;1H4
InChIKeyWCKPTFUITQMKRF-UHFFFAOYSA-N
XLogP36.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001596.55
LogP ≤ 536.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene with MolForge

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Related Compounds

1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene?
The IUPAC name of 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene (CID 161465847) is 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene.
What is the SMILES notation for 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene?
The canonical SMILES for 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene is C.CCCCCC1CCC(c2ccc(-c3ccc(C)cc3)cc2)CC1.CCCCCCC1CCC(c2ccc(C)cc2)CC1.CCCCCCCc1ccc(-c2ccc(C)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.CCCCCc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene?
The InChIKey is WCKPTFUITQMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32.C24H26.C20H26.C19H30.C18H22.C14H14.CH4/c2*1-3-4-5-6-20-9-13-22(14-10-20)24-17-15-23(16-18-24)21-11-7-19(2)8-12-21;1-3-4-5-6-7-8-18-11-15-20(16-12-18)19-13-9-17(2)10-14-19;1-3-4-5-6-7-17-10-14-19(15-11-17)18-12-8-16(2)9-13-18;1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;/h7-8,11-12,15-18,20,22H,3-6,9-10,13-14H2,1-2H3;7-18H,3-6H2,1-2H3;9-16H,3-8H2,1-2H3;8-9,12-13,17,19H,3-7,10-11,14-15H2,1-2H3;7-14H,3-6H2,1-2H3;3-10H,1-2H3;1H4.
What are the key properties of 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene?
1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene has a molecular weight of 1596.55 g/mol, XLogP of 36.99, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene is sourced from PubChem (CID 161465847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).