6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid

C19H24O2S — CID 15666610

IUPAC6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid
SMILESO=C(O)CCCCCc1sccc1CCCc1ccccc1
InChIInChI=1S/C19H24O2S/c20-19(21)13-6-2-5-12-18-17(14-15-22-18)11-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,14-15H,2,5-7,10-13H2,(H,20,21)
InChIKeyOGNITMNPJVRJDB-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.11
Rot. Bonds10

About 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid

6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid (PubChem CID 15666610) has the molecular formula C19H24O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid.

Molecular Properties

Compound Name6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid
PubChem CID15666610
Molecular FormulaC19H24O2S
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid
SMILESO=C(O)CCCCCc1sccc1CCCc1ccccc1
InChIInChI=1S/C19H24O2S/c20-19(21)13-6-2-5-12-18-17(14-15-22-18)11-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,14-15H,2,5-7,10-13H2,(H,20,21)
InChIKeyOGNITMNPJVRJDB-UHFFFAOYSA-N
XLogP5.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid
CID 15666579
7-[2-(3-phenylpropanoyl)thiophen-3-yl]heptanoic acid
CID 15666625
15-phenylpentadecanoic acid
CID 2737151
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
5-(2-chlorothiophen-3-yl)pentanoic acid
CID 175926039
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
diphenylphosphanium;5-phenylpentanoic acid
CID 142371989
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
5-[2-(8-phenyloctyl)phenyl]nonanedioic acid
CID 57285894

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid?
The IUPAC name of 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid (CID 15666610) is 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid.
What is the SMILES notation for 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid?
The canonical SMILES for 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid is O=C(O)CCCCCc1sccc1CCCc1ccccc1.
What is the InChIKey of 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid?
The InChIKey is OGNITMNPJVRJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2S/c20-19(21)13-6-2-5-12-18-17(14-15-22-18)11-7-10-16-8-3-1-4-9-16/h1,3-4,8-9,14-15H,2,5-7,10-13H2,(H,20,21).
What are the key properties of 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid?
6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid has a molecular weight of 316.47 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid is sourced from PubChem (CID 15666610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).