3-(5-phenylpent-1-ynyl)thiophene

C15H14S — CID 152636776

IUPAC3-(5-phenylpent-1-ynyl)thiophene
SMILESC(#Cc1ccsc1)CCCc1ccccc1
InChIInChI=1S/C15H14S/c1-3-7-14(8-4-1)9-5-2-6-10-15-11-12-16-13-15/h1,3-4,7-8,11-13H,2,5,9H2
InChIKeyZERWNWFYNKWSBO-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.12
Rot. Bonds3

About 3-(5-phenylpent-1-ynyl)thiophene

3-(5-phenylpent-1-ynyl)thiophene (PubChem CID 152636776) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-(5-phenylpent-1-ynyl)thiophene.

Molecular Properties

Compound Name3-(5-phenylpent-1-ynyl)thiophene
PubChem CID152636776
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name3-(5-phenylpent-1-ynyl)thiophene
SMILESC(#Cc1ccsc1)CCCc1ccccc1
InChIInChI=1S/C15H14S/c1-3-7-14(8-4-1)9-5-2-6-10-15-11-12-16-13-15/h1,3-4,7-8,11-13H,2,5,9H2
InChIKeyZERWNWFYNKWSBO-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylprop-1-ynyl)thiophene
CID 135010577
3-(6-iodohex-1-ynyl)thiophene
CID 102309735
3-dec-1-ynylthiophene
CID 67462067
2-[4-(5-phenylpent-1-ynyl)phenyl]acetonitrile
CID 25221722
4-(5-phenylpent-1-ynyl)thiophene-2-carbaldehyde
CID 22279937
6,6-dichlorohex-4-ynylbenzene
CID 164665221
8-iodooct-4-ynylbenzene
CID 139920502
2-thiophen-3-ylethynethiolate
CID 101453743
(3S)-2-methyl-8-phenyloct-4-yn-3-ol
CID 11991329
4-phenylbutylbenzene
CID 141301927
5-phenylpent-2-yn-1-amine
CID 53412251
triphenyl(2-thiophen-3-ylethynyl)phosphanium bromide
CID 166771661

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylpent-1-ynyl)thiophene?
The IUPAC name of 3-(5-phenylpent-1-ynyl)thiophene (CID 152636776) is 3-(5-phenylpent-1-ynyl)thiophene.
What is the SMILES notation for 3-(5-phenylpent-1-ynyl)thiophene?
The canonical SMILES for 3-(5-phenylpent-1-ynyl)thiophene is C(#Cc1ccsc1)CCCc1ccccc1.
What is the InChIKey of 3-(5-phenylpent-1-ynyl)thiophene?
The InChIKey is ZERWNWFYNKWSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S/c1-3-7-14(8-4-1)9-5-2-6-10-15-11-12-16-13-15/h1,3-4,7-8,11-13H,2,5,9H2.
What are the key properties of 3-(5-phenylpent-1-ynyl)thiophene?
3-(5-phenylpent-1-ynyl)thiophene has a molecular weight of 226.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylpent-1-ynyl)thiophene is sourced from PubChem (CID 152636776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).