2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid

C17H13NO6 — CID 752170

IUPAC2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C17H13NO6/c1-23-13-4-2-3-5-14(13)24-10-6-7-11-12(8-10)17(22)18(16(11)21)9-15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyVTQBCUYUZXWSSX-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.17
Rot. Bonds5

About 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid

2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid (PubChem CID 752170) has the molecular formula C17H13NO6 and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid
PubChem CID752170
Molecular FormulaC17H13NO6
Molecular Weight327.29 g/mol
Exact Mass327.07
IUPAC Name2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C17H13NO6/c1-23-13-4-2-3-5-14(13)24-10-6-7-11-12(8-10)17(22)18(16(11)21)9-15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyVTQBCUYUZXWSSX-UHFFFAOYSA-N
XLogP2.17
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid (CID 752170) is 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid is COc1ccccc1Oc1ccc2c(c1)C(=O)N(CC(=O)O)C2=O.
What is the InChIKey of 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid?
The InChIKey is VTQBCUYUZXWSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO6/c1-23-13-4-2-3-5-14(13)24-10-6-7-11-12(8-10)17(22)18(16(11)21)9-15(19)20/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid?
2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid has a molecular weight of 327.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyphenoxy)-1,3-dioxoisoindol-2-yl]acetic acid is sourced from PubChem (CID 752170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).