1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene

C32H50 — CID 22919877

IUPAC1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
SMILESCc1ccccc1CCCCCCCCCCCCCCCCCCc1ccccc1C
InChIInChI=1S/C32H50/c1-29-23-19-21-27-31(29)25-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-32-28-22-20-24-30(32)2/h19-24,27-28H,3-18,25-26H2,1-2H3
InChIKeyHQJGHJBREDUVSZ-UHFFFAOYSA-N
MW434.75 g/mol
LogP10.33
Rot. Bonds19

About 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene

1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene (PubChem CID 22919877) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
PubChem CID22919877
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Name1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
SMILESCc1ccccc1CCCCCCCCCCCCCCCCCCc1ccccc1C
InChIInChI=1S/C32H50/c1-29-23-19-21-27-31(29)25-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-32-28-22-20-24-30(32)2/h19-24,27-28H,3-18,25-26H2,1-2H3
InChIKeyHQJGHJBREDUVSZ-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 510.33
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-methyl-2-pentylbenzene
CID 524553
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
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CID 173447859
1-methyl-2-[5-(4-methylphenyl)pentyl]benzene
CID 173152052
1-methyl-2-oct-7-enylbenzene
CID 18786509
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
N,N-diethyl-6-(2-methylphenyl)hexan-1-amine;hydrate
CID 173448140
1-methyl-2-nonylbenzene;2H-triazole
CID 174954534
14-(2-methylphenyl)tetradecyl-dipropylazanium chloride
CID 70622329
N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine
CID 170097315
dichloro-[3-(2-methylphenyl)propyl]silane
CID 158078615
CID 57429570
CID 57429570

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene?
The IUPAC name of 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene (CID 22919877) is 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene.
What is the SMILES notation for 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene?
The canonical SMILES for 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene is Cc1ccccc1CCCCCCCCCCCCCCCCCCc1ccccc1C.
What is the InChIKey of 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene?
The InChIKey is HQJGHJBREDUVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50/c1-29-23-19-21-27-31(29)25-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-26-32-28-22-20-24-30(32)2/h19-24,27-28H,3-18,25-26H2,1-2H3.
What are the key properties of 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene?
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene has a molecular weight of 434.75 g/mol, XLogP of 10.33, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene is sourced from PubChem (CID 22919877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).