3-(2-hexylphenyl)thiophene

C16H20S — CID 174751094

IUPAC3-(2-hexylphenyl)thiophene
SMILESCCCCCCc1ccccc1-c1ccsc1
InChIInChI=1S/C16H20S/c1-2-3-4-5-8-14-9-6-7-10-16(14)15-11-12-17-13-15/h6-7,9-13H,2-5,8H2,1H3
InChIKeyJMUFRLOIARSCIB-UHFFFAOYSA-N
MW244.40 g/mol
LogP5.54
Rot. Bonds6

About 3-(2-hexylphenyl)thiophene

3-(2-hexylphenyl)thiophene (PubChem CID 174751094) has the molecular formula C16H20S and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-(2-hexylphenyl)thiophene.

Molecular Properties

Compound Name3-(2-hexylphenyl)thiophene
PubChem CID174751094
Molecular FormulaC16H20S
Molecular Weight244.40 g/mol
Exact Mass244.13
IUPAC Name3-(2-hexylphenyl)thiophene
SMILESCCCCCCc1ccccc1-c1ccsc1
InChIInChI=1S/C16H20S/c1-2-3-4-5-8-14-9-6-7-10-16(14)15-11-12-17-13-15/h6-7,9-13H,2-5,8H2,1H3
InChIKeyJMUFRLOIARSCIB-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.40
LogP ≤ 55.54
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

3-(2,5-dioctylphenyl)thiophene
CID 91605577
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N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
gold;1-pentyl-2-phenylbenzene
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carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
7-butylcyclopenta[c]thiopyran
CID 173058565
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-dodecyl-2-hexylbenzene
CID 19371073
1,2-di(undecyl)benzene
CID 3019479

Frequently Asked Questions

What is the IUPAC name of 3-(2-hexylphenyl)thiophene?
The IUPAC name of 3-(2-hexylphenyl)thiophene (CID 174751094) is 3-(2-hexylphenyl)thiophene.
What is the SMILES notation for 3-(2-hexylphenyl)thiophene?
The canonical SMILES for 3-(2-hexylphenyl)thiophene is CCCCCCc1ccccc1-c1ccsc1.
What is the InChIKey of 3-(2-hexylphenyl)thiophene?
The InChIKey is JMUFRLOIARSCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20S/c1-2-3-4-5-8-14-9-6-7-10-16(14)15-11-12-17-13-15/h6-7,9-13H,2-5,8H2,1H3.
What are the key properties of 3-(2-hexylphenyl)thiophene?
3-(2-hexylphenyl)thiophene has a molecular weight of 244.40 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hexylphenyl)thiophene is sourced from PubChem (CID 174751094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).