3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde

C16H13NO3 — CID 143313949

IUPAC3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde
SMILESO=CN1C(=O)C(O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H13NO3/c18-11-17-14-9-5-4-8-13(14)16(20,15(17)19)10-12-6-2-1-3-7-12/h1-9,11,20H,10H2
InChIKeyABPMHUYWDKVERX-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.62
Rot. Bonds3

About 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde

3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde (PubChem CID 143313949) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde.

Molecular Properties

Compound Name3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde
PubChem CID143313949
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde
SMILESO=CN1C(=O)C(O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H13NO3/c18-11-17-14-9-5-4-8-13(14)16(20,15(17)19)10-12-6-2-1-3-7-12/h1-9,11,20H,10H2
InChIKeyABPMHUYWDKVERX-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde?
The IUPAC name of 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde (CID 143313949) is 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde.
What is the SMILES notation for 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde?
The canonical SMILES for 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde is O=CN1C(=O)C(O)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde?
The InChIKey is ABPMHUYWDKVERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-11-17-14-9-5-4-8-13(14)16(20,15(17)19)10-12-6-2-1-3-7-12/h1-9,11,20H,10H2.
What are the key properties of 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde?
3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde has a molecular weight of 267.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-hydroxy-2-oxoindole-1-carbaldehyde is sourced from PubChem (CID 143313949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).