3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid

C14H20O4S — CID 65158430

IUPAC3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid
SMILESCCCc1cc(OCCC2CCCO2)c(C(=O)O)s1
InChIInChI=1S/C14H20O4S/c1-2-4-11-9-12(13(19-11)14(15)16)18-8-6-10-5-3-7-17-10/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyPPXMGEWYRRKESZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.35
Rot. Bonds7

About 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid

3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid (PubChem CID 65158430) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid
PubChem CID65158430
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid
SMILESCCCc1cc(OCCC2CCCO2)c(C(=O)O)s1
InChIInChI=1S/C14H20O4S/c1-2-4-11-9-12(13(19-11)14(15)16)18-8-6-10-5-3-7-17-10/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyPPXMGEWYRRKESZ-UHFFFAOYSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid
CID 65158382
5-methyl-3-[3-(oxolan-2-yl)propoxy]thiophene-2-carboxylic acid
CID 65158380
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007
4-bromo-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159009
3-ethoxy-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65161179
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107738433
[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
[2-[2-(oxolan-2-yl)ethoxy]-4-propoxyphenyl]methanol
CID 65163131
2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107014133
[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]boronic acid
CID 65162445
2-nitro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107341160
4-methyl-2-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65158770

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid (CID 65158430) is 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid is CCCc1cc(OCCC2CCCO2)c(C(=O)O)s1.
What is the InChIKey of 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid?
The InChIKey is PPXMGEWYRRKESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4S/c1-2-4-11-9-12(13(19-11)14(15)16)18-8-6-10-5-3-7-17-10/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid?
3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-yl)ethoxy]-5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 65158430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).