1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

C15H19N3O3 — CID 105109818

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cccc2c1OCCO2
InChIInChI=1S/C15H19N3O3/c1-2-6-18-14(16-10-17-18)9-12(19)11-4-3-5-13-15(11)21-8-7-20-13/h3-5,10,12,19H,2,6-9H2,1H3
InChIKeyTWTLUZZLROKVSQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.74
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 105109818) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID105109818
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cccc2c1OCCO2
InChIInChI=1S/C15H19N3O3/c1-2-6-18-14(16-10-17-18)9-12(19)11-4-3-5-13-15(11)21-8-7-20-13/h3-5,10,12,19H,2,6-9H2,1H3
InChIKeyTWTLUZZLROKVSQ-UHFFFAOYSA-N
XLogP1.74
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109204
1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 107469348
[1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316501
1-(2-methylfuran-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 104789442
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
CID 105111843
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 105087755
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105130946
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306987
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
methyl (3R)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-hydroxypropanoate
CID 97168065
2,3-dihydro-1-benzofuran-7-yl-(2-propylpyrazol-3-yl)methanol
CID 114743786

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (CID 105109818) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1ncnc1CC(O)c1cccc2c1OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is TWTLUZZLROKVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-6-18-14(16-10-17-18)9-12(19)11-4-3-5-13-15(11)21-8-7-20-13/h3-5,10,12,19H,2,6-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 289.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 105109818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).