4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid

C18H16O5 — CID 10710216

IUPAC4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccccc1COc1cccc2oc(C(=O)O)c(C)c12
InChIInChI=1S/C18H16O5/c1-11-16-14(8-5-9-15(16)23-17(11)18(19)20)22-10-12-6-3-4-7-13(12)21-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyZOYIASROOJCQCW-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.03
Rot. Bonds5

About 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid

4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 10710216) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID10710216
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccccc1COc1cccc2oc(C(=O)O)c(C)c12
InChIInChI=1S/C18H16O5/c1-11-16-14(8-5-9-15(16)23-17(11)18(19)20)22-10-12-6-3-4-7-13(12)21-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyZOYIASROOJCQCW-UHFFFAOYSA-N
XLogP4.03
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10543106
4-[(3-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10638827
4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68711320
4-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-1-benzofuran-2-carboxylic acid
CID 11723886
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 68715819
4-methoxy-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 84697441
3-ethyl-5-methoxy-4-oxochromene-2-carboxylic acid
CID 69384782
4-(1-methoxyethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68714524
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
CID 800958
4-[(4-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 175937035

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid (CID 10710216) is 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid is COc1ccccc1COc1cccc2oc(C(=O)O)c(C)c12.
What is the InChIKey of 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is ZOYIASROOJCQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-11-16-14(8-5-9-15(16)23-17(11)18(19)20)22-10-12-6-3-4-7-13(12)21-2/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid?
4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 312.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 10710216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).