2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid

C17H14O4 — CID 175186064

IUPAC2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid
SMILESCOc1ccccc1-c1cc2c(C(=O)O)cc(C)cc2o1
InChIInChI=1S/C17H14O4/c1-10-7-13(17(18)19)12-9-16(21-15(12)8-10)11-5-3-4-6-14(11)20-2/h3-9H,1-2H3,(H,18,19)
InChIKeyLLFJLJJZFNSUSL-UHFFFAOYSA-N
MW282.30 g/mol
LogP4.12
Rot. Bonds3

About 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid

2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid (PubChem CID 175186064) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid
PubChem CID175186064
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid
SMILESCOc1ccccc1-c1cc2c(C(=O)O)cc(C)cc2o1
InChIInChI=1S/C17H14O4/c1-10-7-13(17(18)19)12-9-16(21-15(12)8-10)11-5-3-4-6-14(11)20-2/h3-9H,1-2H3,(H,18,19)
InChIKeyLLFJLJJZFNSUSL-UHFFFAOYSA-N
XLogP4.12
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
1-[5-(2-methoxyphenyl)-2-methylfuran-3-yl]ethanone
CID 10443838
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
CID 174552806
5-hydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 688677
4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid
CID 84673879
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 90272615

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid?
The IUPAC name of 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid (CID 175186064) is 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid is COc1ccccc1-c1cc2c(C(=O)O)cc(C)cc2o1.
What is the InChIKey of 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid?
The InChIKey is LLFJLJJZFNSUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-10-7-13(17(18)19)12-9-16(21-15(12)8-10)11-5-3-4-6-14(11)20-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid?
2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-methyl-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 175186064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).