2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid

C17H14O5 — CID 117179469

IUPAC2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
SMILESCOc1ccc(OCc2cc3ccc(C(=O)O)cc3o2)cc1
InChIInChI=1S/C17H14O5/c1-20-13-4-6-14(7-5-13)21-10-15-8-11-2-3-12(17(18)19)9-16(11)22-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyWZASTCILDDDLEC-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.72
Rot. Bonds5

About 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid

2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid (PubChem CID 117179469) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
PubChem CID117179469
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
SMILESCOc1ccc(OCc2cc3ccc(C(=O)O)cc3o2)cc1
InChIInChI=1S/C17H14O5/c1-20-13-4-6-14(7-5-13)21-10-15-8-11-2-3-12(17(18)19)9-16(11)22-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeyWZASTCILDDDLEC-UHFFFAOYSA-N
XLogP3.72
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-6-methyl-1-benzofuran
CID 117185820
2-[(2-fluorophenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179456
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
2-(methylaminomethyl)-1-benzofuran-6-carboxylic acid
CID 117179444
2-[(4-chlorophenoxy)methyl]-1-benzofuran-6-ol
CID 117179375
2-[2-(4-methoxyphenoxy)ethyl]isoindole-5-carboxylic acid
CID 94778606
methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate
CID 23655159
6-chloro-2-(phenoxymethyl)-1-benzofuran
CID 117179310
2-[(4-tert-butylphenoxy)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 24966893
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;silver
CID 140722019
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid (CID 117179469) is 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid is COc1ccc(OCc2cc3ccc(C(=O)O)cc3o2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid?
The InChIKey is WZASTCILDDDLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-13-4-6-14(7-5-13)21-10-15-8-11-2-3-12(17(18)19)9-16(11)22-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid?
2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid has a molecular weight of 298.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 117179469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).