1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol

C24H23NOS — CID 70694782

IUPAC1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol
SMILESCc1ccccc1SCC(O)Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C24H23NOS/c1-18-9-5-8-14-24(18)27-17-21(26)16-25-22-13-7-6-12-20(22)15-23(25)19-10-3-2-4-11-19/h2-15,21,26H,16-17H2,1H3
InChIKeyJFXIKLQWFZYNPT-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.77
Rot. Bonds6

About 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol

1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol (PubChem CID 70694782) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol
PubChem CID70694782
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Name1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol
SMILESCc1ccccc1SCC(O)Cn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C24H23NOS/c1-18-9-5-8-14-24(18)27-17-21(26)16-25-22-13-7-6-12-20(22)15-23(25)19-10-3-2-4-11-19/h2-15,21,26H,16-17H2,1H3
InChIKeyJFXIKLQWFZYNPT-UHFFFAOYSA-N
XLogP5.77
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol (CID 70694782) is 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol is Cc1ccccc1SCC(O)Cn1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol?
The InChIKey is JFXIKLQWFZYNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOS/c1-18-9-5-8-14-24(18)27-17-21(26)16-25-22-13-7-6-12-20(22)15-23(25)19-10-3-2-4-11-19/h2-15,21,26H,16-17H2,1H3.
What are the key properties of 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol?
1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol has a molecular weight of 373.52 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol is sourced from PubChem (CID 70694782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).