5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid

C17H20O3S — CID 139921995

IUPAC5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1cccc(OCCc2ccsc2)c1
InChIInChI=1S/C17H20O3S/c18-17(19)7-2-1-4-14-5-3-6-16(12-14)20-10-8-15-9-11-21-13-15/h3,5-6,9,11-13H,1-2,4,7-8,10H2,(H,18,19)
InChIKeyAJNYUTSMVCBMCA-UHFFFAOYSA-N
MW304.41 g/mol
LogP4.17
Rot. Bonds9

About 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid

5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid (PubChem CID 139921995) has the molecular formula C17H20O3S and a molecular weight of 304.41 g/mol. Its IUPAC name is 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid
PubChem CID139921995
Molecular FormulaC17H20O3S
Molecular Weight304.41 g/mol
Exact Mass304.11
IUPAC Name5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid
SMILESO=C(O)CCCCc1cccc(OCCc2ccsc2)c1
InChIInChI=1S/C17H20O3S/c18-17(19)7-2-1-4-14-5-3-6-16(12-14)20-10-8-15-9-11-21-13-15/h3,5-6,9,11-13H,1-2,4,7-8,10H2,(H,18,19)
InChIKeyAJNYUTSMVCBMCA-UHFFFAOYSA-N
XLogP4.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
6-thiophen-3-ylhexanoic acid
CID 24722734
5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
CID 139922006
5-[3-(pyridin-2-ylmethoxy)phenyl]pentanoic acid
CID 139922111
4-oxo-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]butanoic acid
CID 57013169
(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol
CID 78956541
6-[3-[(2R)-2-methylbutyl]phenoxy]hexanoic acid;sulfane
CID 161096653
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
7-(3-propoxyphenyl)heptan-3-one
CID 157062342
ethane;6-(3-propoxyphenyl)hexan-2-one
CID 157048681
10-[3-[(2S)-2-methylbutyl]phenoxy]decanoic acid
CID 59600109
4-oxo-4-[2-[3-(2-phenylethoxy)phenyl]ethylamino]butanoic acid
CID 20991274

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid?
The IUPAC name of 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid (CID 139921995) is 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid?
The canonical SMILES for 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid is O=C(O)CCCCc1cccc(OCCc2ccsc2)c1.
What is the InChIKey of 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid?
The InChIKey is AJNYUTSMVCBMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3S/c18-17(19)7-2-1-4-14-5-3-6-16(12-14)20-10-8-15-9-11-21-13-15/h3,5-6,9,11-13H,1-2,4,7-8,10H2,(H,18,19).
What are the key properties of 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid?
5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid has a molecular weight of 304.41 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-thiophen-3-ylethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 139921995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).