2-(5-hydroxy-1H-indol-3-yl)acetate

C10H8NO3- — CID 3772821

IUPAC2-(5-hydroxy-1H-indol-3-yl)acetate
SMILESO=C([O-])Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/p-1
InChIKeyDUUGKQCEGZLZNO-UHFFFAOYSA-M
MW190.18 g/mol
LogP0.17
Rot. Bonds2

About 2-(5-hydroxy-1H-indol-3-yl)acetate

2-(5-hydroxy-1H-indol-3-yl)acetate (PubChem CID 3772821) has the molecular formula C10H8NO3- and a molecular weight of 190.18 g/mol. Its IUPAC name is 2-(5-hydroxy-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name2-(5-hydroxy-1H-indol-3-yl)acetate
PubChem CID3772821
Molecular FormulaC10H8NO3-
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name2-(5-hydroxy-1H-indol-3-yl)acetate
SMILESO=C([O-])Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/p-1
InChIKeyDUUGKQCEGZLZNO-UHFFFAOYSA-M
XLogP0.17
TPSA76.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)acetate?
The IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)acetate (CID 3772821) is 2-(5-hydroxy-1H-indol-3-yl)acetate.
What is the SMILES notation for 2-(5-hydroxy-1H-indol-3-yl)acetate?
The canonical SMILES for 2-(5-hydroxy-1H-indol-3-yl)acetate is O=C([O-])Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 2-(5-hydroxy-1H-indol-3-yl)acetate?
The InChIKey is DUUGKQCEGZLZNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/p-1.
What are the key properties of 2-(5-hydroxy-1H-indol-3-yl)acetate?
2-(5-hydroxy-1H-indol-3-yl)acetate has a molecular weight of 190.18 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1H-indol-3-yl)acetate is sourced from PubChem (CID 3772821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).