4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol

C23H21NO2S — CID 70686438

IUPAC4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol
SMILESOc1ccc(SCC(O)Cn2c(-c3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C23H21NO2S/c25-19-10-12-21(13-11-19)27-16-20(26)15-24-22-9-5-4-8-18(22)14-23(24)17-6-2-1-3-7-17/h1-14,20,25-26H,15-16H2
InChIKeyZPSGFIIKABXHEB-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.17
Rot. Bonds6

About 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol

4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol (PubChem CID 70686438) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol.

Molecular Properties

Compound Name4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol
PubChem CID70686438
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol
SMILESOc1ccc(SCC(O)Cn2c(-c3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C23H21NO2S/c25-19-10-12-21(13-11-19)27-16-20(26)15-24-22-9-5-4-8-18(22)14-23(24)17-6-2-1-3-7-17/h1-14,20,25-26H,15-16H2
InChIKeyZPSGFIIKABXHEB-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 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol?
The IUPAC name of 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol (CID 70686438) is 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol.
What is the SMILES notation for 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol?
The canonical SMILES for 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol is Oc1ccc(SCC(O)Cn2c(-c3ccccc3)cc3ccccc32)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol?
The InChIKey is ZPSGFIIKABXHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c25-19-10-12-21(13-11-19)27-16-20(26)15-24-22-9-5-4-8-18(22)14-23(24)17-6-2-1-3-7-17/h1-14,20,25-26H,15-16H2.
What are the key properties of 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol?
4-[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 4-[2-hydroxy-3-(2-phenylindol-1-yl)propyl]sulfanylphenol is sourced from PubChem (CID 70686438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).