2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid

C15H12O4S — CID 62275297

IUPAC2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(COCc2cccs2)oc2ccccc12
InChIInChI=1S/C15H12O4S/c16-15(17)14-11-5-1-2-6-12(11)19-13(14)9-18-8-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,17)
InChIKeyBCVASLIMYDXVLC-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.91
Rot. Bonds5

About 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid

2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid (PubChem CID 62275297) has the molecular formula C15H12O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
PubChem CID62275297
Molecular FormulaC15H12O4S
Molecular Weight288.32 g/mol
Exact Mass288.05
IUPAC Name2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(COCc2cccs2)oc2ccccc12
InChIInChI=1S/C15H12O4S/c16-15(17)14-11-5-1-2-6-12(11)19-13(14)9-18-8-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,17)
InChIKeyBCVASLIMYDXVLC-UHFFFAOYSA-N
XLogP3.91
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(thiophen-2-ylmethylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103237396
2-(pyridin-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 83209336
2-(2-propoxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 63686877
2-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-3-carboxylic acid
CID 62273945
2-(benzenesulfinylmethyl)-1-benzofuran-3-carboxylic acid
CID 62274634
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770
2-[(cyclopropylmethylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103231163
2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1-benzofuran-3-carboxylic acid
CID 106215284
2-(ethoxymethyl)-1-benzofuran-3-carbohydrazide
CID 55213785
2-(propan-2-ylsulfonylmethyl)-1-benzofuran-3-carboxylic acid
CID 55054104
2-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 175937042
3-[(thiophen-2-ylmethylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103237368

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid (CID 62275297) is 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid is O=C(O)c1c(COCc2cccs2)oc2ccccc12.
What is the InChIKey of 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is BCVASLIMYDXVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4S/c16-15(17)14-11-5-1-2-6-12(11)19-13(14)9-18-8-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,17).
What are the key properties of 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid?
2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethoxymethyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 62275297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).