1-methyl-2-[5-(4-methylphenyl)pentyl]benzene

C19H24 — CID 173152052

IUPAC1-methyl-2-[5-(4-methylphenyl)pentyl]benzene
SMILESCc1ccc(CCCCCc2ccccc2C)cc1
InChIInChI=1S/C19H24/c1-16-12-14-18(15-13-16)9-4-3-5-10-19-11-7-6-8-17(19)2/h6-8,11-15H,3-5,9-10H2,1-2H3
InChIKeyQCLMWCXULZPRBZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.26
Rot. Bonds6

About 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene

1-methyl-2-[5-(4-methylphenyl)pentyl]benzene (PubChem CID 173152052) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[5-(4-methylphenyl)pentyl]benzene
PubChem CID173152052
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-methyl-2-[5-(4-methylphenyl)pentyl]benzene
SMILESCc1ccc(CCCCCc2ccccc2C)cc1
InChIInChI=1S/C19H24/c1-16-12-14-18(15-13-16)9-4-3-5-10-19-11-7-6-8-17(19)2/h6-8,11-15H,3-5,9-10H2,1-2H3
InChIKeyQCLMWCXULZPRBZ-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.26
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-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-methyl-2-pentylbenzene
CID 524553
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
1-hexyl-4-methylbenzene;toluene
CID 173071388
N,N-dimethyl-12-(2-methylphenyl)dodecan-1-amine;hydrate
CID 173447859
1-methyl-2-[(4S)-4-[(4-methylphenyl)methyl]heptyl]benzene
CID 134955292
2,4-dihexyl-1-methylbenzene;toluene
CID 173347627
1-methyl-4-octylbenzene
CID 11052746
1-methyl-2-oct-7-enylbenzene
CID 18786509
1-(5-fluoropentyl)-4-methylbenzene
CID 172812127
1-butyl-2-methylbenzene;ethane;propane
CID 142102479

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene?
The IUPAC name of 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene (CID 173152052) is 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene.
What is the SMILES notation for 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene?
The canonical SMILES for 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene is Cc1ccc(CCCCCc2ccccc2C)cc1.
What is the InChIKey of 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene?
The InChIKey is QCLMWCXULZPRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-16-12-14-18(15-13-16)9-4-3-5-10-19-11-7-6-8-17(19)2/h6-8,11-15H,3-5,9-10H2,1-2H3.
What are the key properties of 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene?
1-methyl-2-[5-(4-methylphenyl)pentyl]benzene has a molecular weight of 252.40 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-(4-methylphenyl)pentyl]benzene is sourced from PubChem (CID 173152052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).