5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid

C20H24O3S — CID 15667449

IUPAC5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
SMILESO=C(O)CCCC(=O)CCc1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C20H24O3S/c21-17(9-5-11-20(22)23)12-13-19-15-14-18(24-19)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,22,23)
InChIKeyAALFCYDNRRFBRU-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.68
Rot. Bonds11

About 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid

5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid (PubChem CID 15667449) has the molecular formula C20H24O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid.

Molecular Properties

Compound Name5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
PubChem CID15667449
Molecular FormulaC20H24O3S
Molecular Weight344.48 g/mol
Exact Mass344.14
IUPAC Name5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
SMILESO=C(O)CCCC(=O)CCc1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C20H24O3S/c21-17(9-5-11-20(22)23)12-13-19-15-14-18(24-19)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,22,23)
InChIKeyAALFCYDNRRFBRU-UHFFFAOYSA-N
XLogP4.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid?
The IUPAC name of 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid (CID 15667449) is 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid.
What is the SMILES notation for 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid?
The canonical SMILES for 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid is O=C(O)CCCC(=O)CCc1ccc(CCCc2ccccc2)s1.
What is the InChIKey of 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid?
The InChIKey is AALFCYDNRRFBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3S/c21-17(9-5-11-20(22)23)12-13-19-15-14-18(24-19)10-4-8-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,22,23).
What are the key properties of 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid?
5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid has a molecular weight of 344.48 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid is sourced from PubChem (CID 15667449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).