5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid

C17H14O5 — CID 177038641

IUPAC5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(Oc2ccc3oc(C)c(C(=O)O)c3c2)cc1
InChIInChI=1S/C17H14O5/c1-10-16(17(18)19)14-9-13(7-8-15(14)21-10)22-12-5-3-11(20-2)4-6-12/h3-9H,1-2H3,(H,18,19)
InChIKeyWUWRAKDKGCSRKI-UHFFFAOYSA-N
MW298.29 g/mol
LogP4.24
Rot. Bonds4

About 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid

5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 177038641) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID177038641
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc(Oc2ccc3oc(C)c(C(=O)O)c3c2)cc1
InChIInChI=1S/C17H14O5/c1-10-16(17(18)19)14-9-13(7-8-15(14)21-10)22-12-5-3-11(20-2)4-6-12/h3-9H,1-2H3,(H,18,19)
InChIKeyWUWRAKDKGCSRKI-UHFFFAOYSA-N
XLogP4.24
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
5-[(1S)-1-carboxyethoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854526
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
5-amino-2-methyl-1-benzofuran-3-carboxylic acid
CID 130670349
(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 877207
5-[(R)-carboxy(phenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 801057
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380571
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
5-[cyclopropyl(dideuterio)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 178129111
5-[(2,6-dichlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 988870
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380318
2-methyl-5-[(6-methylpyridazin-3-yl)methoxy]-1-benzofuran-3-carboxylic acid
CID 163380674

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid (CID 177038641) is 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid is COc1ccc(Oc2ccc3oc(C)c(C(=O)O)c3c2)cc1.
What is the InChIKey of 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is WUWRAKDKGCSRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-10-16(17(18)19)14-9-13(7-8-15(14)21-10)22-12-5-3-11(20-2)4-6-12/h3-9H,1-2H3,(H,18,19).
What are the key properties of 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid?
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 298.29 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 177038641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).