1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione

C16H13NO3 — CID 158530316

IUPAC1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione
SMILESCCc1cc(N2C(=O)C(=O)c3ccccc32)ccc1O
InChIInChI=1S/C16H13NO3/c1-2-10-9-11(7-8-14(10)18)17-13-6-4-3-5-12(13)15(19)16(17)20/h3-9,18H,2H2,1H3
InChIKeyHNHBMKAWUPJULR-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.82
Rot. Bonds2

About 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione

1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione (PubChem CID 158530316) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione
PubChem CID158530316
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione
SMILESCCc1cc(N2C(=O)C(=O)c3ccccc32)ccc1O
InChIInChI=1S/C16H13NO3/c1-2-10-9-11(7-8-14(10)18)17-13-6-4-3-5-12(13)15(19)16(17)20/h3-9,18H,2H2,1H3
InChIKeyHNHBMKAWUPJULR-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione?
The IUPAC name of 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione (CID 158530316) is 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione.
What is the SMILES notation for 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione?
The canonical SMILES for 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione is CCc1cc(N2C(=O)C(=O)c3ccccc32)ccc1O.
What is the InChIKey of 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione?
The InChIKey is HNHBMKAWUPJULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-10-9-11(7-8-14(10)18)17-13-6-4-3-5-12(13)15(19)16(17)20/h3-9,18H,2H2,1H3.
What are the key properties of 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione?
1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione is sourced from PubChem (CID 158530316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).