1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

C18H19N3O2S — CID 47010267

IUPAC1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESOC(COCc1ccccc1)CSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C18H19N3O2S/c22-16(12-23-11-14-7-3-1-4-8-14)13-24-18-19-17(20-21-18)15-9-5-2-6-10-15/h1-10,16,22H,11-13H2,(H,19,20,21)
InChIKeyJRQXBZTWFMZQHL-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.14
Rot. Bonds8

About 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (PubChem CID 47010267) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
PubChem CID47010267
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESOC(COCc1ccccc1)CSc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C18H19N3O2S/c22-16(12-23-11-14-7-3-1-4-8-14)13-24-18-19-17(20-21-18)15-9-5-2-6-10-15/h1-10,16,22H,11-13H2,(H,19,20,21)
InChIKeyJRQXBZTWFMZQHL-UHFFFAOYSA-N
XLogP3.14
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol with MolForge

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Related Compounds

1-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol
CID 112796264
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
CID 14948166
1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 60670624
2-(2-hydroxy-3-phenylmethoxypropyl)sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3352499
1-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanol
CID 110885759
(1R)-1-(2-methylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 97218588
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylmethoxypropan-2-ol
CID 60670961
methyl (2S)-3-phenyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoate
CID 8848779
1-phenylmethoxyhex-4-yn-2-ol
CID 14428391
(2S)-1-phenylmethoxyhex-4-yn-2-ol
CID 14428392
CID 172760983
CID 172760983
1-phenylmethoxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 51073499

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (CID 47010267) is 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is OC(COCc1ccccc1)CSc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The InChIKey is JRQXBZTWFMZQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16(12-23-11-14-7-3-1-4-8-14)13-24-18-19-17(20-21-18)15-9-5-2-6-10-15/h1-10,16,22H,11-13H2,(H,19,20,21).
What are the key properties of 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol has a molecular weight of 341.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 47010267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).