2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol

C23H21NO2S — CID 70688538

IUPAC2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol
SMILESOc1ccccc1SCC(O)Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C23H21NO2S/c25-19(16-27-23-13-7-6-12-22(23)26)15-24-20-11-5-4-10-18(20)14-21(24)17-8-2-1-3-9-17/h1-14,19,25-26H,15-16H2
InChIKeyXDVUBYHAVAGMCN-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.17
Rot. Bonds6

About 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol

2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol (PubChem CID 70688538) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol.

Molecular Properties

Compound Name2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol
PubChem CID70688538
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol
SMILESOc1ccccc1SCC(O)Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C23H21NO2S/c25-19(16-27-23-13-7-6-12-22(23)26)15-24-20-11-5-4-10-18(20)14-21(24)17-8-2-1-3-9-17/h1-14,19,25-26H,15-16H2
InChIKeyXDVUBYHAVAGMCN-UHFFFAOYSA-N
XLogP5.17
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol?
The IUPAC name of 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol (CID 70688538) is 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol.
What is the SMILES notation for 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol?
The canonical SMILES for 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol is Oc1ccccc1SCC(O)Cn1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol?
The InChIKey is XDVUBYHAVAGMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c25-19(16-27-23-13-7-6-12-22(23)26)15-24-20-11-5-4-10-18(20)14-21(24)17-8-2-1-3-9-17/h1-14,19,25-26H,15-16H2.
What are the key properties of 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol?
2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol has a molecular weight of 375.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol is sourced from PubChem (CID 70688538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).