2-(2-phenoxyethylsulfanyl)-1H-indole

C16H15NOS — CID 71719823

IUPAC2-(2-phenoxyethylsulfanyl)-1H-indole
SMILESc1ccc(OCCSc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15NOS/c1-2-7-14(8-3-1)18-10-11-19-16-12-13-6-4-5-9-15(13)17-16/h1-9,12,17H,10-11H2
InChIKeyIPUPFUPOJLGSIA-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-phenoxyethylsulfanyl)-1H-indole

2-(2-phenoxyethylsulfanyl)-1H-indole (PubChem CID 71719823) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2-phenoxyethylsulfanyl)-1H-indole.

Molecular Properties

Compound Name2-(2-phenoxyethylsulfanyl)-1H-indole
PubChem CID71719823
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(2-phenoxyethylsulfanyl)-1H-indole
SMILESc1ccc(OCCSc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15NOS/c1-2-7-14(8-3-1)18-10-11-19-16-12-13-6-4-5-9-15(13)17-16/h1-9,12,17H,10-11H2
InChIKeyIPUPFUPOJLGSIA-UHFFFAOYSA-N
XLogP4.34
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethylsulfanyl)-1H-indole?
The IUPAC name of 2-(2-phenoxyethylsulfanyl)-1H-indole (CID 71719823) is 2-(2-phenoxyethylsulfanyl)-1H-indole.
What is the SMILES notation for 2-(2-phenoxyethylsulfanyl)-1H-indole?
The canonical SMILES for 2-(2-phenoxyethylsulfanyl)-1H-indole is c1ccc(OCCSc2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(2-phenoxyethylsulfanyl)-1H-indole?
The InChIKey is IPUPFUPOJLGSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-2-7-14(8-3-1)18-10-11-19-16-12-13-6-4-5-9-15(13)17-16/h1-9,12,17H,10-11H2.
What are the key properties of 2-(2-phenoxyethylsulfanyl)-1H-indole?
2-(2-phenoxyethylsulfanyl)-1H-indole has a molecular weight of 269.37 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethylsulfanyl)-1H-indole is sourced from PubChem (CID 71719823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).