1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene

C34H46 — CID 159793185

IUPAC1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
SMILESCCCCCCCCCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C34H46/c1-7-8-9-10-11-12-13-14-28-17-21-30(22-18-28)34(5,6)32-25-23-31(24-26-32)33(3,4)29-19-15-27(2)16-20-29/h15-26H,7-14H2,1-6H3
InChIKeyUZNRKLGUYSBTBQ-UHFFFAOYSA-N
MW454.74 g/mol
LogP9.94
Rot. Bonds12

About 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene

1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene (PubChem CID 159793185) has the molecular formula C34H46 and a molecular weight of 454.74 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
PubChem CID159793185
Molecular FormulaC34H46
Molecular Weight454.74 g/mol
Exact Mass454.36
IUPAC Name1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
SMILESCCCCCCCCCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C34H46/c1-7-8-9-10-11-12-13-14-28-17-21-30(22-18-28)34(5,6)32-25-23-31(24-26-32)33(3,4)29-19-15-27(2)16-20-29/h15-26H,7-14H2,1-6H3
InChIKeyUZNRKLGUYSBTBQ-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 59.94
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

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CID 11052746
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CID 162402478
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CID 174631363
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
3,3-dimethylhexane;1-heptyl-4-methylbenzene
CID 143180238
1-hexyl-4-methylbenzene;toluene
CID 173071388
4-nonylphenol;4-(2-phenylpropan-2-yl)phenol
CID 19993999
1-butyl-4-[2-[4-(4-chlorobutyl)phenyl]propan-2-yl]benzene
CID 134339617
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
1-(1,1-difluoroethyl)-4-(4-octylphenyl)benzene
CID 23188558
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
The IUPAC name of 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene (CID 159793185) is 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene is CCCCCCCCCc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
The InChIKey is UZNRKLGUYSBTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46/c1-7-8-9-10-11-12-13-14-28-17-21-30(22-18-28)34(5,6)32-25-23-31(24-26-32)33(3,4)29-19-15-27(2)16-20-29/h15-26H,7-14H2,1-6H3.
What are the key properties of 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene?
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene has a molecular weight of 454.74 g/mol, XLogP of 9.94, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene is sourced from PubChem (CID 159793185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).