2-[4-(4-methylphenyl)butyl]thiophene

C15H18S — CID 10585578

IUPAC2-[4-(4-methylphenyl)butyl]thiophene
SMILESCc1ccc(CCCCc2cccs2)cc1
InChIInChI=1S/C15H18S/c1-13-8-10-14(11-9-13)5-2-3-6-15-7-4-12-16-15/h4,7-12H,2-3,5-6H2,1H3
InChIKeyQGHDFUXSAKOWJL-UHFFFAOYSA-N
MW230.38 g/mol
LogP4.62
Rot. Bonds5

About 2-[4-(4-methylphenyl)butyl]thiophene

2-[4-(4-methylphenyl)butyl]thiophene (PubChem CID 10585578) has the molecular formula C15H18S and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)butyl]thiophene.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)butyl]thiophene
PubChem CID10585578
Molecular FormulaC15H18S
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Name2-[4-(4-methylphenyl)butyl]thiophene
SMILESCc1ccc(CCCCc2cccs2)cc1
InChIInChI=1S/C15H18S/c1-13-8-10-14(11-9-13)5-2-3-6-15-7-4-12-16-15/h4,7-12H,2-3,5-6H2,1H3
InChIKeyQGHDFUXSAKOWJL-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
ethane;2-pentylthiophene
CID 143883800
2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
CID 55223117
methane;2-undecylthiophene
CID 175504380
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
2-(4-fluorobutyl)thiophene
CID 67851736
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
2-(8-phenyloct-4-enyl)thiophene
CID 70351967
2-(5-chloropentyl)thiophene
CID 4912993
2-butylthiophene;methanamine
CID 143080300

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)butyl]thiophene?
The IUPAC name of 2-[4-(4-methylphenyl)butyl]thiophene (CID 10585578) is 2-[4-(4-methylphenyl)butyl]thiophene.
What is the SMILES notation for 2-[4-(4-methylphenyl)butyl]thiophene?
The canonical SMILES for 2-[4-(4-methylphenyl)butyl]thiophene is Cc1ccc(CCCCc2cccs2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)butyl]thiophene?
The InChIKey is QGHDFUXSAKOWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18S/c1-13-8-10-14(11-9-13)5-2-3-6-15-7-4-12-16-15/h4,7-12H,2-3,5-6H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)butyl]thiophene?
2-[4-(4-methylphenyl)butyl]thiophene has a molecular weight of 230.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)butyl]thiophene is sourced from PubChem (CID 10585578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).