1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol

C25H25NOS — CID 70690594

IUPAC1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol
SMILESCCc1ccc(SCC(O)Cn2c(-c3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C25H25NOS/c1-2-19-12-14-23(15-13-19)28-18-22(27)17-26-24-11-7-6-10-21(24)16-25(26)20-8-4-3-5-9-20/h3-16,22,27H,2,17-18H2,1H3
InChIKeyYGSKRMBGZAQPFX-UHFFFAOYSA-N
MW387.55 g/mol
LogP6.02
Rot. Bonds7

About 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol

1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol (PubChem CID 70690594) has the molecular formula C25H25NOS and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol
PubChem CID70690594
Molecular FormulaC25H25NOS
Molecular Weight387.55 g/mol
Exact Mass387.17
IUPAC Name1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol
SMILESCCc1ccc(SCC(O)Cn2c(-c3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C25H25NOS/c1-2-19-12-14-23(15-13-19)28-18-22(27)17-26-24-11-7-6-10-21(24)16-25(26)20-8-4-3-5-9-20/h3-16,22,27H,2,17-18H2,1H3
InChIKeyYGSKRMBGZAQPFX-UHFFFAOYSA-N
XLogP6.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.55
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol (CID 70690594) is 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol is CCc1ccc(SCC(O)Cn2c(-c3ccccc3)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol?
The InChIKey is YGSKRMBGZAQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NOS/c1-2-19-12-14-23(15-13-19)28-18-22(27)17-26-24-11-7-6-10-21(24)16-25(26)20-8-4-3-5-9-20/h3-16,22,27H,2,17-18H2,1H3.
What are the key properties of 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol?
1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol has a molecular weight of 387.55 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfanyl-3-(2-phenylindol-1-yl)propan-2-ol is sourced from PubChem (CID 70690594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).