3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid

C13H14O4S — CID 83171087

IUPAC3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid
SMILESCCCc1cc(OCc2ccoc2)c(C(=O)O)s1
InChIInChI=1S/C13H14O4S/c1-2-3-10-6-11(12(18-10)13(14)15)17-8-9-4-5-16-7-9/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyXXGYRBODTFJMAV-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.57
Rot. Bonds6

About 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid

3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid (PubChem CID 83171087) has the molecular formula C13H14O4S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid
PubChem CID83171087
Molecular FormulaC13H14O4S
Molecular Weight266.32 g/mol
Exact Mass266.06
IUPAC Name3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid
SMILESCCCc1cc(OCc2ccoc2)c(C(=O)O)s1
InChIInChI=1S/C13H14O4S/c1-2-3-10-6-11(12(18-10)13(14)15)17-8-9-4-5-16-7-9/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKeyXXGYRBODTFJMAV-UHFFFAOYSA-N
XLogP3.57
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-(furan-3-ylmethoxy)thiophene-2-carboxylic acid
CID 83171009
3-[(3-cyclopropylimidazol-4-yl)methoxy]-5-propylthiophene-2-carboxylic acid
CID 66154051
5-bromo-2-(furan-3-ylmethoxy)benzoic acid
CID 107729545
3-(furan-3-ylmethoxy)-2-methylbenzoic acid
CID 83171984
3-[(3-cyano-4-fluorophenyl)methoxy]-5-ethylthiophene-2-carboxylic acid
CID 107878276
2-[4-(furan-3-ylmethoxy)phenyl]acetic acid
CID 68666970
2-(furan-3-ylmethoxy)phenol
CID 83172625
5-methylperoxysulfanyl-3-phenylmethoxythiophene-2-carboxylic acid
CID 54138610
5-ethyl-3-(3-fluoropropoxy)thiophene-2-carboxylic acid
CID 81106395
2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid
CID 167607988
furan-3-ylmethyl N-methylcarbamate
CID 57025329
3-(ethoxymethyl)furan
CID 59154839

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid?
The IUPAC name of 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid (CID 83171087) is 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid?
The canonical SMILES for 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid is CCCc1cc(OCc2ccoc2)c(C(=O)O)s1.
What is the InChIKey of 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid?
The InChIKey is XXGYRBODTFJMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4S/c1-2-3-10-6-11(12(18-10)13(14)15)17-8-9-4-5-16-7-9/h4-7H,2-3,8H2,1H3,(H,14,15).
What are the key properties of 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid?
3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethoxy)-5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 83171087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).