1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol

C15H17N3OS — CID 114910774

IUPAC1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C15H17N3OS/c1-3-8-18-13(10-16-17-18)15(2,19)14-9-11-6-4-5-7-12(11)20-14/h4-7,9-10,19H,3,8H2,1-2H3
InChIKeyKDBRHFMNVONGPL-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.16
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol

1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol (PubChem CID 114910774) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
PubChem CID114910774
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(C)(O)c1cc2ccccc2s1
InChIInChI=1S/C15H17N3OS/c1-3-8-18-13(10-16-17-18)15(2,19)14-9-11-6-4-5-7-12(11)20-14/h4-7,9-10,19H,3,8H2,1-2H3
InChIKeyKDBRHFMNVONGPL-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114910961
1-(4-ethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114684630
2-(1-benzothiophen-2-yl)-3-ethylpentan-2-ol
CID 114910806
1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
1-(1-benzothiophen-2-yl)-1-(2-methylphenyl)ethanol
CID 114910776
1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 114910952
2-(1-benzothiophen-2-yl)-4-methylhexan-2-ol
CID 114910768
1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
CID 114910893
1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 114910959
1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol
CID 114910885
2-(1-benzothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
CID 114910889
2-(1-benzothiophen-2-yl)-1-ethoxypropan-2-ol
CID 114910761

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol (CID 114910774) is 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol is CCCn1nncc1C(C)(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
The InChIKey is KDBRHFMNVONGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-8-18-13(10-16-17-18)15(2,19)14-9-11-6-4-5-7-12(11)20-14/h4-7,9-10,19H,3,8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol?
1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol has a molecular weight of 287.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(3-propyltriazol-4-yl)ethanol is sourced from PubChem (CID 114910774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).