1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene

C26H30 — CID 4174966

IUPAC1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
SMILESCc1ccc(CCCCc2ccc(CCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H30/c1-21-7-11-23(12-8-21)5-3-4-6-24-15-17-26(18-16-24)20-19-25-13-9-22(2)10-14-25/h7-18H,3-6,19-20H2,1-2H3
InChIKeyVHNMMKXCQZCLST-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.65
Rot. Bonds8

About 1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene

1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene (PubChem CID 4174966) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
PubChem CID4174966
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
SMILESCc1ccc(CCCCc2ccc(CCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H30/c1-21-7-11-23(12-8-21)5-3-4-6-24-15-17-26(18-16-24)20-19-25-13-9-22(2)10-14-25/h7-18H,3-6,19-20H2,1-2H3
InChIKeyVHNMMKXCQZCLST-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.65
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-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-methyl-4-octylbenzene
CID 11052746
CID 70388398
CID 70388398
1-(5-fluoropentyl)-4-methylbenzene
CID 172812127
1-(3-iodopropyl)-4-methylbenzene
CID 18402542
1-(3-chloropropyl)-4-methylbenzene
CID 12932085
1-(6-chlorohexyl)-4-methylbenzene;ethane
CID 144525982
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
4-(4-methylphenyl)butan-1-ol;toluene
CID 70134596

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene?
The IUPAC name of 1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene (CID 4174966) is 1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene?
The canonical SMILES for 1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene is Cc1ccc(CCCCc2ccc(CCc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene?
The InChIKey is VHNMMKXCQZCLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-21-7-11-23(12-8-21)5-3-4-6-24-15-17-26(18-16-24)20-19-25-13-9-22(2)10-14-25/h7-18H,3-6,19-20H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene?
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene has a molecular weight of 342.53 g/mol, XLogP of 6.65, 8 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-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene is sourced from PubChem (CID 4174966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).