[2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate

C17H13NO4 — CID 2453310

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(O)c1
InChIInChI=1S/C17H13NO4/c19-12-5-3-4-11(8-12)17(21)22-10-16(20)14-9-18-15-7-2-1-6-13(14)15/h1-9,18-19H,10H2
InChIKeyMZPMLGSADPRUKC-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.91
Rot. Bonds4

About [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate

[2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 2453310) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
PubChem CID2453310
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
SMILESO=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(O)c1
InChIInChI=1S/C17H13NO4/c19-12-5-3-4-11(8-12)17(21)22-10-16(20)14-9-18-15-7-2-1-6-13(14)15/h1-9,18-19H,10H2
InChIKeyMZPMLGSADPRUKC-UHFFFAOYSA-N
XLogP2.91
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate (CID 2453310) is [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate is O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(O)c1.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is MZPMLGSADPRUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-12-5-3-4-11(8-12)17(21)22-10-16(20)14-9-18-15-7-2-1-6-13(14)15/h1-9,18-19H,10H2.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate?
[2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 295.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 2453310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).