2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid

C18H16O7S — CID 66755913

IUPAC2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid
SMILESCOCc1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)O)cc2o1
InChIInChI=1S/C18H16O7S/c1-23-10-13-9-15-16(7-11(18(19)20)8-17(15)25-13)24-12-3-5-14(6-4-12)26(2,21)22/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFKVMIKRLVDEWSV-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.47
Rot. Bonds6

About 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid

2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid (PubChem CID 66755913) has the molecular formula C18H16O7S and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid
PubChem CID66755913
Molecular FormulaC18H16O7S
Molecular Weight376.39 g/mol
Exact Mass376.06
IUPAC Name2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid
SMILESCOCc1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)O)cc2o1
InChIInChI=1S/C18H16O7S/c1-23-10-13-9-15-16(7-11(18(19)20)8-17(15)25-13)24-12-3-5-14(6-4-12)26(2,21)22/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyFKVMIKRLVDEWSV-UHFFFAOYSA-N
XLogP3.47
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(bromomethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid
CID 70662602
2-(methoxymethyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 66755992
2-ethyl-4-(4-methylphenoxy)-1-benzofuran-6-carboxylic acid;sulfur dioxide
CID 162056840
2-ethyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 59559979
2-methyl-4-(4-methylsulfonylphenoxy)-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 67482420
3-amino-4-(4-methylsulfonylphenoxy)benzoic acid
CID 60987365
3-methoxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 59649435
3-hydroxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 23093006
2-methyl-N-(5-methylpyrazin-2-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 90665737
6-N-(5-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-4-(4-methylsulfonylphenoxy)-1-benzofuran-2,6-dicarboxamide
CID 66755886
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 43806772
2-(difluoromethyl)-N-(1-methylpyrazol-3-yl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxamide
CID 66756511

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid (CID 66755913) is 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid is COCc1cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)O)cc2o1.
What is the InChIKey of 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid?
The InChIKey is FKVMIKRLVDEWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O7S/c1-23-10-13-9-15-16(7-11(18(19)20)8-17(15)25-13)24-12-3-5-14(6-4-12)26(2,21)22/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid?
2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid has a molecular weight of 376.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(4-methylsulfonylphenoxy)-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 66755913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).