2-iodo-5-(4-phenylbutyl)thiophene

C14H15IS — CID 142912255

IUPAC2-iodo-5-(4-phenylbutyl)thiophene
SMILESIc1ccc(CCCCc2ccccc2)s1
InChIInChI=1S/C14H15IS/c15-14-11-10-13(16-14)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyZXDCGEZTRNAZKH-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.92
Rot. Bonds5

About 2-iodo-5-(4-phenylbutyl)thiophene

2-iodo-5-(4-phenylbutyl)thiophene (PubChem CID 142912255) has the molecular formula C14H15IS and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-iodo-5-(4-phenylbutyl)thiophene.

Molecular Properties

Compound Name2-iodo-5-(4-phenylbutyl)thiophene
PubChem CID142912255
Molecular FormulaC14H15IS
Molecular Weight342.25 g/mol
Exact Mass341.99
IUPAC Name2-iodo-5-(4-phenylbutyl)thiophene
SMILESIc1ccc(CCCCc2ccccc2)s1
InChIInChI=1S/C14H15IS/c15-14-11-10-13(16-14)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2
InChIKeyZXDCGEZTRNAZKH-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbutylbenzene
CID 141301927
2-phenyl-5-(3-phenylpropyl)thiophene
CID 15666584
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene
CID 88505006
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
7-iodoheptylbenzene
CID 14529673
2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
pentylbenzene
CID 91255123

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(4-phenylbutyl)thiophene?
The IUPAC name of 2-iodo-5-(4-phenylbutyl)thiophene (CID 142912255) is 2-iodo-5-(4-phenylbutyl)thiophene.
What is the SMILES notation for 2-iodo-5-(4-phenylbutyl)thiophene?
The canonical SMILES for 2-iodo-5-(4-phenylbutyl)thiophene is Ic1ccc(CCCCc2ccccc2)s1.
What is the InChIKey of 2-iodo-5-(4-phenylbutyl)thiophene?
The InChIKey is ZXDCGEZTRNAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IS/c15-14-11-10-13(16-14)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2.
What are the key properties of 2-iodo-5-(4-phenylbutyl)thiophene?
2-iodo-5-(4-phenylbutyl)thiophene has a molecular weight of 342.25 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(4-phenylbutyl)thiophene is sourced from PubChem (CID 142912255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).