5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid

C14H10O4S — CID 163380011

IUPAC5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2ccc(OCc3ccsc3)cc12
InChIInChI=1S/C14H10O4S/c15-14(16)12-7-18-13-2-1-10(5-11(12)13)17-6-9-3-4-19-8-9/h1-5,7-8H,6H2,(H,15,16)
InChIKeyKNYPADAGOHFNCY-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.77
Rot. Bonds4

About 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid

5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid (PubChem CID 163380011) has the molecular formula C14H10O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid
PubChem CID163380011
Molecular FormulaC14H10O4S
Molecular Weight274.30 g/mol
Exact Mass274.03
IUPAC Name5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2ccc(OCc3ccsc3)cc12
InChIInChI=1S/C14H10O4S/c15-14(16)12-7-18-13-2-1-10(5-11(12)13)17-6-9-3-4-19-8-9/h1-5,7-8H,6H2,(H,15,16)
InChIKeyKNYPADAGOHFNCY-UHFFFAOYSA-N
XLogP3.77
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-bromophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939011
2-(4-oxo-6-phenylmethoxychromen-3-yl)acetic acid
CID 174407776
2-(thiophen-3-ylmethoxy)benzoic acid
CID 43646082
2-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 10537643
6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one
CID 22010465
[5-[(3-fluorophenyl)methoxy]-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 91938912
[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939012
2-phenyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 696231
pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
CID 126830676
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzoic acid
CID 43646189
2-[[3-(furan-2-carbonyl)-1-benzofuran-5-yl]oxy]-1-piperidin-1-ylethanone
CID 91938984

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid (CID 163380011) is 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid is O=C(O)c1coc2ccc(OCc3ccsc3)cc12.
What is the InChIKey of 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid?
The InChIKey is KNYPADAGOHFNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S/c15-14(16)12-7-18-13-2-1-10(5-11(12)13)17-6-9-3-4-19-8-9/h1-5,7-8H,6H2,(H,15,16).
What are the key properties of 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid?
5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-3-ylmethoxy)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 163380011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).