1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol

C12H15N3O2S — CID 113221262

IUPAC1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
SMILESCOc1cccc(C(O)CSc2n[nH]c(C)n2)c1
InChIInChI=1S/C12H15N3O2S/c1-8-13-12(15-14-8)18-7-11(16)9-4-3-5-10(6-9)17-2/h3-6,11,16H,7H2,1-2H3,(H,13,14,15)
InChIKeyDHVMMEQOFMLXGG-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.95
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol

1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol (PubChem CID 113221262) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
PubChem CID113221262
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
SMILESCOc1cccc(C(O)CSc2n[nH]c(C)n2)c1
InChIInChI=1S/C12H15N3O2S/c1-8-13-12(15-14-8)18-7-11(16)9-4-3-5-10(6-9)17-2/h3-6,11,16H,7H2,1-2H3,(H,13,14,15)
InChIKeyDHVMMEQOFMLXGG-UHFFFAOYSA-N
XLogP1.95
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-N-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64626537
1-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64627526
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 78966117
2-(2-amino-5-methylphenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134479
1-(2,5-dimethoxyphenyl)-N-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64626734
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 81135235
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81140967
(1S)-1-(3-methoxyphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 95628711
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
2-[3-(hydroxymethyl)phenyl]sulfanyl-1-(3-methoxyphenyl)ethanol
CID 81134166
2-(3,4-difluorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanol
CID 112725157
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-methoxyphenyl)ethanol
CID 81136925

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol (CID 113221262) is 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol is COc1cccc(C(O)CSc2n[nH]c(C)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The InChIKey is DHVMMEQOFMLXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-13-12(15-14-8)18-7-11(16)9-4-3-5-10(6-9)17-2/h3-6,11,16H,7H2,1-2H3,(H,13,14,15).
What are the key properties of 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol?
1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol has a molecular weight of 265.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol is sourced from PubChem (CID 113221262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).