1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride

C16H22ClNO3S — CID 3076654

IUPAC1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride
SMILESCl.OC(COCCN1CCOCC1)c1ccc2sccc2c1
InChIInChI=1S/C16H21NO3S.ClH/c18-15(12-20-9-6-17-4-7-19-8-5-17)13-1-2-16-14(11-13)3-10-21-16;/h1-3,10-11,15,18H,4-9,12H2;1H
InChIKeyTVHRGWOTXNGOGI-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.71
Rot. Bonds6

About 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride

1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride (PubChem CID 3076654) has the molecular formula C16H22ClNO3S and a molecular weight of 343.88 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride
PubChem CID3076654
Molecular FormulaC16H22ClNO3S
Molecular Weight343.88 g/mol
Exact Mass343.10
IUPAC Name1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride
SMILESCl.OC(COCCN1CCOCC1)c1ccc2sccc2c1
InChIInChI=1S/C16H21NO3S.ClH/c18-15(12-20-9-6-17-4-7-19-8-5-17)13-1-2-16-14(11-13)3-10-21-16;/h1-3,10-11,15,18H,4-9,12H2;1H
InChIKeyTVHRGWOTXNGOGI-UHFFFAOYSA-N
XLogP2.71
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride?
The IUPAC name of 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride (CID 3076654) is 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride is Cl.OC(COCCN1CCOCC1)c1ccc2sccc2c1.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride?
The InChIKey is TVHRGWOTXNGOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S.ClH/c18-15(12-20-9-6-17-4-7-19-8-5-17)13-1-2-16-14(11-13)3-10-21-16;/h1-3,10-11,15,18H,4-9,12H2;1H.
What are the key properties of 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride?
1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol;hydrochloride is sourced from PubChem (CID 3076654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).