2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene

C32H40 — CID 59931400

IUPAC2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(CCCCc3ccc(C4CCC(C)CC4)c(C)c3)cc2)c(C)c1
InChIInChI=1S/C32H40/c1-23-9-15-29(16-10-23)32-20-14-28(22-26(32)4)8-6-5-7-27-12-17-30(18-13-27)31-19-11-24(2)21-25(31)3/h11-14,17-23,29H,5-10,15-16H2,1-4H3
InChIKeyHIRARKYALXBITE-UHFFFAOYSA-N
MW424.67 g/mol
LogP9.14
Rot. Bonds7

About 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene

2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene (PubChem CID 59931400) has the molecular formula C32H40 and a molecular weight of 424.67 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene
PubChem CID59931400
Molecular FormulaC32H40
Molecular Weight424.67 g/mol
Exact Mass424.31
IUPAC Name2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene
SMILESCc1ccc(-c2ccc(CCCCc3ccc(C4CCC(C)CC4)c(C)c3)cc2)c(C)c1
InChIInChI=1S/C32H40/c1-23-9-15-29(16-10-23)32-20-14-28(22-26(32)4)8-6-5-7-27-12-17-30(18-13-27)31-19-11-24(2)21-25(31)3/h11-14,17-23,29H,5-10,15-16H2,1-4H3
InChIKeyHIRARKYALXBITE-UHFFFAOYSA-N
XLogP9.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 59.14
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene (CID 59931400) is 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene is Cc1ccc(-c2ccc(CCCCc3ccc(C4CCC(C)CC4)c(C)c3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene?
The InChIKey is HIRARKYALXBITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40/c1-23-9-15-29(16-10-23)32-20-14-28(22-26(32)4)8-6-5-7-27-12-17-30(18-13-27)31-19-11-24(2)21-25(31)3/h11-14,17-23,29H,5-10,15-16H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene?
2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene has a molecular weight of 424.67 g/mol, XLogP of 9.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene is sourced from PubChem (CID 59931400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).