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

C18H16O5 — CID 10543106

IUPAC4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc(COc2cccc3oc(C(=O)O)c(C)c23)cc1
InChIInChI=1S/C18H16O5/c1-11-16-14(4-3-5-15(16)23-17(11)18(19)20)22-10-12-6-8-13(21-2)9-7-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyDKGUEJFXCJRUFC-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.03
Rot. Bonds5

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

4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 10543106) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID10543106
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCOc1ccc(COc2cccc3oc(C(=O)O)c(C)c23)cc1
InChIInChI=1S/C18H16O5/c1-11-16-14(4-3-5-15(16)23-17(11)18(19)20)22-10-12-6-8-13(21-2)9-7-12/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyDKGUEJFXCJRUFC-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

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Related Compounds

4-[(3-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10638827
4-[(4-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 175937035
4-[(2-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid
CID 10710216
4-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-1-benzofuran-2-carboxylic acid
CID 11723886
4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68711320
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 68715819
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
4-methoxy-3-propan-2-yl-1-benzofuran-2-carboxylic acid
CID 84697441
4-(1-methoxyethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68714524
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
methyl 4-hydroxy-5-[(4-methylphenyl)methoxy]-2-oxochromene-3-carboxylate
CID 87431837
1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone
CID 163871431

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid (CID 10543106) is 4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid is COc1ccc(COc2cccc3oc(C(=O)O)c(C)c23)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is DKGUEJFXCJRUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-11-16-14(4-3-5-15(16)23-17(11)18(19)20)22-10-12-6-8-13(21-2)9-7-12/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid?
4-[(4-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-[(4-methoxyphenyl)methoxy]-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 10543106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).