6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid

C13H14O5 — CID 123770863

IUPAC6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid
SMILESCOCC(C)Oc1ccc2c(C(=O)O)coc2c1
InChIInChI=1S/C13H14O5/c1-8(6-16-2)18-9-3-4-10-11(13(14)15)7-17-12(10)5-9/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeySVWBKTISOPBAJM-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.54
Rot. Bonds5

About 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid

6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid (PubChem CID 123770863) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid
PubChem CID123770863
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Name6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid
SMILESCOCC(C)Oc1ccc2c(C(=O)O)coc2c1
InChIInChI=1S/C13H14O5/c1-8(6-16-2)18-9-3-4-10-11(13(14)15)7-17-12(10)5-9/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeySVWBKTISOPBAJM-UHFFFAOYSA-N
XLogP2.54
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
6-ethyl-1-benzofuran-3-carboxylic acid
CID 155722437
7-[(2R)-1-methoxypropan-2-yl]oxy-4-phenylchromen-2-one
CID 172878951
5-[(2S)-1-methoxypropan-2-yl]oxy-2-phenylmethoxybenzoic acid
CID 67487058
7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497899
6-bromo-1-benzofuran-3-carboxylic acid
CID 71743436
4-(1-methoxypropan-2-yloxy)naphthalene-1-carboxylic acid
CID 114088665
2-amino-5-(4-methoxybutan-2-yloxy)benzoic acid
CID 107076827
4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid
CID 66439068
[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]boronic acid
CID 65203767
tert-butyl 6-methoxy-1-benzofuran-3-carboxylate
CID 102421543
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752

Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid (CID 123770863) is 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid is COCC(C)Oc1ccc2c(C(=O)O)coc2c1.
What is the InChIKey of 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid?
The InChIKey is SVWBKTISOPBAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-8(6-16-2)18-9-3-4-10-11(13(14)15)7-17-12(10)5-9/h3-5,7-8H,6H2,1-2H3,(H,14,15).
What are the key properties of 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid?
6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxypropan-2-yloxy)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 123770863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).