2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol

C16H17NO2S — CID 105121436

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol
SMILESCCOc1cncc(C(O)C2Cc3ccccc3S2)c1
InChIInChI=1S/C16H17NO2S/c1-2-19-13-7-12(9-17-10-13)16(18)15-8-11-5-3-4-6-14(11)20-15/h3-7,9-10,15-16,18H,2,8H2,1H3
InChIKeyULWLFRQFYHYUBT-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.23
Rot. Bonds4

About 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol

2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol (PubChem CID 105121436) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol
PubChem CID105121436
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol
SMILESCCOc1cncc(C(O)C2Cc3ccccc3S2)c1
InChIInChI=1S/C16H17NO2S/c1-2-19-13-7-12(9-17-10-13)16(18)15-8-11-5-3-4-6-14(11)20-15/h3-7,9-10,15-16,18H,2,8H2,1H3
InChIKeyULWLFRQFYHYUBT-UHFFFAOYSA-N
XLogP3.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol
CID 105095159
2,3-dihydro-1,4-benzoxathiin-2-yl-(5-ethoxy-3-pyridinyl)methanol
CID 106601125
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173320
N-[2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 105102365
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105175436
2,3-dihydro-1-benzothiophen-2-yl-(2,3-dimethylphenyl)methanol
CID 105091980
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-2-methylphenyl)methanol
CID 105093619
N-[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]ethanamine
CID 105098407
1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
CID 103459699
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-4-ethoxyaniline
CID 79511747
2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
CID 105098031

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol (CID 105121436) is 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol is CCOc1cncc(C(O)C2Cc3ccccc3S2)c1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol?
The InChIKey is ULWLFRQFYHYUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-19-13-7-12(9-17-10-13)16(18)15-8-11-5-3-4-6-14(11)20-15/h3-7,9-10,15-16,18H,2,8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol?
2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol has a molecular weight of 287.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanol is sourced from PubChem (CID 105121436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).