1-(5-methyl-1-phenylhexyl)-4-pentylbenzene

C24H34 — CID 123286485

IUPAC1-(5-methyl-1-phenylhexyl)-4-pentylbenzene
SMILESCCCCCc1ccc(C(CCCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C24H34/c1-4-5-7-12-21-16-18-23(19-17-21)24(15-10-11-20(2)3)22-13-8-6-9-14-22/h6,8-9,13-14,16-20,24H,4-5,7,10-12,15H2,1-3H3
InChIKeyMNEZXVUYWNBXLE-UHFFFAOYSA-N
MW322.54 g/mol
LogP7.38
Rot. Bonds10

About 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene

1-(5-methyl-1-phenylhexyl)-4-pentylbenzene (PubChem CID 123286485) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene.

Molecular Properties

Compound Name1-(5-methyl-1-phenylhexyl)-4-pentylbenzene
PubChem CID123286485
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name1-(5-methyl-1-phenylhexyl)-4-pentylbenzene
SMILESCCCCCc1ccc(C(CCCC(C)C)c2ccccc2)cc1
InChIInChI=1S/C24H34/c1-4-5-7-12-21-16-18-23(19-17-21)24(15-10-11-20(2)3)22-13-8-6-9-14-22/h6,8-9,13-14,16-20,24H,4-5,7,10-12,15H2,1-3H3
InChIKeyMNEZXVUYWNBXLE-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.38
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-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
cumene;1-hexyl-4-propan-2-ylbenzene;methane;propane
CID 157275582
4-[1-[4-[12-[4-[1-(4-aminophenyl)decyl]phenyl]dodecyl]phenyl]decyl]aniline
CID 22921197
4-[1-[4-[9-[4-[1-(4-aminophenyl)undecyl]phenyl]nonyl]phenyl]undecyl]aniline
CID 22919480
4-[1-[4-[5-[4-[1-(4-aminophenyl)hexyl]phenyl]pentyl]phenyl]hexyl]aniline
CID 22920456
4-[1-[4-[13-[4-[1-(4-aminophenyl)nonyl]phenyl]tridecyl]phenyl]nonyl]aniline
CID 22920846
4-[1-[4-[18-[4-[1-(4-aminophenyl)hexyl]phenyl]octadecyl]phenyl]hexyl]aniline
CID 22919132
4-[1-[4-[14-[4-[1-(4-aminophenyl)dodecyl]phenyl]tetradecyl]phenyl]dodecyl]aniline
CID 22921067
4-[1-[4-[11-[4-[1-(4-aminophenyl)pentyl]phenyl]undecyl]phenyl]pentyl]aniline
CID 22919313
4-[1-(4-heptylphenyl)heptyl]benzoic acid
CID 67568318

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene?
The IUPAC name of 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene (CID 123286485) is 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene.
What is the SMILES notation for 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene?
The canonical SMILES for 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene is CCCCCc1ccc(C(CCCC(C)C)c2ccccc2)cc1.
What is the InChIKey of 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene?
The InChIKey is MNEZXVUYWNBXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-4-5-7-12-21-16-18-23(19-17-21)24(15-10-11-20(2)3)22-13-8-6-9-14-22/h6,8-9,13-14,16-20,24H,4-5,7,10-12,15H2,1-3H3.
What are the key properties of 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene?
1-(5-methyl-1-phenylhexyl)-4-pentylbenzene has a molecular weight of 322.54 g/mol, XLogP of 7.38, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-phenylhexyl)-4-pentylbenzene is sourced from PubChem (CID 123286485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).