1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one

C16H13NO4 — CID 141156173

IUPAC1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one
SMILESO=C1C(c2cc3c(cc2O)OCC3)c2ccccc2N1O
InChIInChI=1S/C16H13NO4/c18-13-8-14-9(5-6-21-14)7-11(13)15-10-3-1-2-4-12(10)17(20)16(15)19/h1-4,7-8,15,18,20H,5-6H2
InChIKeySVJIBIGTROHQFV-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.19
Rot. Bonds1

About 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one

1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one (PubChem CID 141156173) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one
PubChem CID141156173
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one
SMILESO=C1C(c2cc3c(cc2O)OCC3)c2ccccc2N1O
InChIInChI=1S/C16H13NO4/c18-13-8-14-9(5-6-21-14)7-11(13)15-10-3-1-2-4-12(10)17(20)16(15)19/h1-4,7-8,15,18,20H,5-6H2
InChIKeySVJIBIGTROHQFV-UHFFFAOYSA-N
XLogP2.19
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one?
The IUPAC name of 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one (CID 141156173) is 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one.
What is the SMILES notation for 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one?
The canonical SMILES for 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one is O=C1C(c2cc3c(cc2O)OCC3)c2ccccc2N1O.
What is the InChIKey of 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one?
The InChIKey is SVJIBIGTROHQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-13-8-14-9(5-6-21-14)7-11(13)15-10-3-1-2-4-12(10)17(20)16(15)19/h1-4,7-8,15,18,20H,5-6H2.
What are the key properties of 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one?
1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one has a molecular weight of 283.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-3H-indol-2-one is sourced from PubChem (CID 141156173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).