3-(thiophen-3-ylmethyl)-1H-indol-7-ol

C13H11NOS — CID 91807347

IUPAC3-(thiophen-3-ylmethyl)-1H-indol-7-ol
SMILESOc1cccc2c(Cc3ccsc3)c[nH]c12
InChIInChI=1S/C13H11NOS/c15-12-3-1-2-11-10(7-14-13(11)12)6-9-4-5-16-8-9/h1-5,7-8,14-15H,6H2
InChIKeyUCNAKXMMLPPJLP-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.53
Rot. Bonds2

About 3-(thiophen-3-ylmethyl)-1H-indol-7-ol

3-(thiophen-3-ylmethyl)-1H-indol-7-ol (PubChem CID 91807347) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(thiophen-3-ylmethyl)-1H-indol-7-ol.

Molecular Properties

Compound Name3-(thiophen-3-ylmethyl)-1H-indol-7-ol
PubChem CID91807347
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name3-(thiophen-3-ylmethyl)-1H-indol-7-ol
SMILESOc1cccc2c(Cc3ccsc3)c[nH]c12
InChIInChI=1S/C13H11NOS/c15-12-3-1-2-11-10(7-14-13(11)12)6-9-4-5-16-8-9/h1-5,7-8,14-15H,6H2
InChIKeyUCNAKXMMLPPJLP-UHFFFAOYSA-N
XLogP3.53
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-7-(thiophen-3-ylmethyl)-1-benzothiophene
CID 23543485
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
CID 117181875
ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
CID 153346441
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid
CID 22014780
2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181897
benzyl 3-(1H-indol-3-yl)-2-(thiophen-3-ylmethoxycarbonylamino)propanoate
CID 6734109
(4S)-5-[(7-methyl-1H-indol-3-yl)methyl]-4-thiophen-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95229839
3-(ethoxymethyl)-7-methyl-1H-indole
CID 117186252
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
1-[3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]ethanone
CID 143385170
4-(2-thiophen-3-ylethylsulfanyl)naphthalen-1-ol
CID 112596099

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-3-ylmethyl)-1H-indol-7-ol?
The IUPAC name of 3-(thiophen-3-ylmethyl)-1H-indol-7-ol (CID 91807347) is 3-(thiophen-3-ylmethyl)-1H-indol-7-ol.
What is the SMILES notation for 3-(thiophen-3-ylmethyl)-1H-indol-7-ol?
The canonical SMILES for 3-(thiophen-3-ylmethyl)-1H-indol-7-ol is Oc1cccc2c(Cc3ccsc3)c[nH]c12.
What is the InChIKey of 3-(thiophen-3-ylmethyl)-1H-indol-7-ol?
The InChIKey is UCNAKXMMLPPJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-12-3-1-2-11-10(7-14-13(11)12)6-9-4-5-16-8-9/h1-5,7-8,14-15H,6H2.
What are the key properties of 3-(thiophen-3-ylmethyl)-1H-indol-7-ol?
3-(thiophen-3-ylmethyl)-1H-indol-7-ol has a molecular weight of 229.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-3-ylmethyl)-1H-indol-7-ol is sourced from PubChem (CID 91807347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).