1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone

C14H11NO2S — CID 15000565

IUPAC1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H11NO2S/c16-12(7-9-5-6-18-8-9)13-10-3-1-2-4-11(10)15-14(13)17/h1-6,8,15,17H,7H2
InChIKeyKNWZFOJHHUPUOE-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.36
Rot. Bonds3

About 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone

1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone (PubChem CID 15000565) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone
PubChem CID15000565
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C14H11NO2S/c16-12(7-9-5-6-18-8-9)13-10-3-1-2-4-11(10)15-14(13)17/h1-6,8,15,17H,7H2
InChIKeyKNWZFOJHHUPUOE-UHFFFAOYSA-N
XLogP3.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone (CID 15000565) is 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)c1c(O)[nH]c2ccccc12.
What is the InChIKey of 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone?
The InChIKey is KNWZFOJHHUPUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-12(7-9-5-6-18-8-9)13-10-3-1-2-4-11(10)15-14(13)17/h1-6,8,15,17H,7H2.
What are the key properties of 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone?
1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone has a molecular weight of 257.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1H-indol-3-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 15000565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).