4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole

C17H19NOS — CID 83163450

IUPAC4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole
SMILESCC(C)Oc1cccc2c1ccn2CCc1ccsc1
InChIInChI=1S/C17H19NOS/c1-13(2)19-17-5-3-4-16-15(17)7-10-18(16)9-6-14-8-11-20-12-14/h3-5,7-8,10-13H,6,9H2,1-2H3
InChIKeyUXCJOKWBRYCACX-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.73
Rot. Bonds5

About 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole

4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole (PubChem CID 83163450) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole.

Molecular Properties

Compound Name4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole
PubChem CID83163450
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole
SMILESCC(C)Oc1cccc2c1ccn2CCc1ccsc1
InChIInChI=1S/C17H19NOS/c1-13(2)19-17-5-3-4-16-15(17)7-10-18(16)9-6-14-8-11-20-12-14/h3-5,7-8,10-13H,6,9H2,1-2H3
InChIKeyUXCJOKWBRYCACX-UHFFFAOYSA-N
XLogP4.73
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole?
The IUPAC name of 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole (CID 83163450) is 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole.
What is the SMILES notation for 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole?
The canonical SMILES for 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole is CC(C)Oc1cccc2c1ccn2CCc1ccsc1.
What is the InChIKey of 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole?
The InChIKey is UXCJOKWBRYCACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13(2)19-17-5-3-4-16-15(17)7-10-18(16)9-6-14-8-11-20-12-14/h3-5,7-8,10-13H,6,9H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole?
4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole has a molecular weight of 285.41 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole is sourced from PubChem (CID 83163450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).