2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid

C11H10O5 — CID 69006707

IUPAC2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid
SMILESCOc1ccc(OCC(=O)O)c2ccoc12
InChIInChI=1S/C11H10O5/c1-14-9-3-2-8(16-6-10(12)13)7-4-5-15-11(7)9/h2-5H,6H2,1H3,(H,12,13)
InChIKeyGGZDKKHPVZGKTR-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.90
Rot. Bonds4

About 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid

2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid (PubChem CID 69006707) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid
PubChem CID69006707
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid
SMILESCOc1ccc(OCC(=O)O)c2ccoc12
InChIInChI=1S/C11H10O5/c1-14-9-3-2-8(16-6-10(12)13)7-4-5-15-11(7)9/h2-5H,6H2,1H3,(H,12,13)
InChIKeyGGZDKKHPVZGKTR-UHFFFAOYSA-N
XLogP1.90
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methoxy-1-benzofuran-4-yl) formate
CID 19261744
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
2-[[10,13,20,23,30-pentakis(carboxymethoxy)-3-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7(35),8,10,12,14,16(34),17(33),18,20,22,24,26(32),27(31),28-octadecaenyl]oxy]acetic acid
CID 122375975
methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
CID 142441350
4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
CID 117325855
3-(4-chloro-7-methoxy-1-benzofuran-5-yl)-3-methylbutanoic acid
CID 117454306
2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid
CID 84693979
2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
CID 117450627
2-[2-methoxy-4-(2-methylpropanoyl)phenoxy]acetic acid
CID 154135736
2-[4-(2-bromoacetyl)-2-methoxyphenoxy]acetic acid
CID 140988709
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid?
The IUPAC name of 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid (CID 69006707) is 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid?
The canonical SMILES for 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid is COc1ccc(OCC(=O)O)c2ccoc12.
What is the InChIKey of 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid?
The InChIKey is GGZDKKHPVZGKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-14-9-3-2-8(16-6-10(12)13)7-4-5-15-11(7)9/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid?
2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid has a molecular weight of 222.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-1-benzofuran-4-yl)oxy]acetic acid is sourced from PubChem (CID 69006707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).