2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene

C37H56 — CID 19008131

IUPAC2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
SMILESCCCCCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)c(C)c3)cc2)CC1
InChIInChI=1S/C37H56/c1-4-6-7-8-9-10-11-13-31-14-18-32(19-15-31)33-22-24-34(25-23-33)36-26-27-37(29(3)28-36)35-20-16-30(12-5-2)17-21-35/h22-28,30-32,35H,4-21H2,1-3H3
InChIKeyLDBHAEUCKMENPB-UHFFFAOYSA-N
MW500.86 g/mol
LogP12.15
Rot. Bonds13

About 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene

2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene (PubChem CID 19008131) has the molecular formula C37H56 and a molecular weight of 500.86 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
PubChem CID19008131
Molecular FormulaC37H56
Molecular Weight500.86 g/mol
Exact Mass500.44
IUPAC Name2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
SMILESCCCCCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)c(C)c3)cc2)CC1
InChIInChI=1S/C37H56/c1-4-6-7-8-9-10-11-13-31-14-18-32(19-15-31)33-22-24-34(25-23-33)36-26-27-37(29(3)28-36)35-20-16-30(12-5-2)17-21-35/h22-28,30-32,35H,4-21H2,1-3H3
InChIKeyLDBHAEUCKMENPB-UHFFFAOYSA-N
XLogP12.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.86
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
2-methyl-4-nonyl-1-(4-nonylcyclohexyl)benzene
CID 19008146
1-isothiocyanato-2-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 168853369
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene?
The IUPAC name of 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene (CID 19008131) is 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene?
The canonical SMILES for 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene is CCCCCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)c(C)c3)cc2)CC1.
What is the InChIKey of 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene?
The InChIKey is LDBHAEUCKMENPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56/c1-4-6-7-8-9-10-11-13-31-14-18-32(19-15-31)33-22-24-34(25-23-33)36-26-27-37(29(3)28-36)35-20-16-30(12-5-2)17-21-35/h22-28,30-32,35H,4-21H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene?
2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene has a molecular weight of 500.86 g/mol, XLogP of 12.15, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 19008131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).