2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid

C16H11NO5 — CID 155926368

IUPAC2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=O)c2cc(-c3ccc(O)cc3)ccc21
InChIInChI=1S/C16H11NO5/c18-11-4-1-9(2-5-11)10-3-6-13-12(7-10)15(21)16(22)17(13)8-14(19)20/h1-7,18H,8H2,(H,19,20)
InChIKeyWAWYZNMZZVZWPX-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.67
Rot. Bonds3

About 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid

2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid (PubChem CID 155926368) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid
PubChem CID155926368
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=O)c2cc(-c3ccc(O)cc3)ccc21
InChIInChI=1S/C16H11NO5/c18-11-4-1-9(2-5-11)10-3-6-13-12(7-10)15(21)16(22)17(13)8-14(19)20/h1-7,18H,8H2,(H,19,20)
InChIKeyWAWYZNMZZVZWPX-UHFFFAOYSA-N
XLogP1.67
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid (CID 155926368) is 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid is O=C(O)CN1C(=O)C(=O)c2cc(-c3ccc(O)cc3)ccc21.
What is the InChIKey of 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid?
The InChIKey is WAWYZNMZZVZWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c18-11-4-1-9(2-5-11)10-3-6-13-12(7-10)15(21)16(22)17(13)8-14(19)20/h1-7,18H,8H2,(H,19,20).
What are the key properties of 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid?
2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid has a molecular weight of 297.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxyphenyl)-2,3-dioxoindol-1-yl]acetic acid is sourced from PubChem (CID 155926368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).