2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone

C16H17NO3S — CID 97077546

IUPAC2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCO[C@H](c2ccsc2)C1
InChIInChI=1S/C16H17NO3S/c18-14-3-1-2-12(8-14)9-16(19)17-5-6-20-15(10-17)13-4-7-21-11-13/h1-4,7-8,11,15,18H,5-6,9-10H2/t15-/m0/s1
InChIKeyCMCLREJHIMQTMA-HNNXBMFYSA-N
MW303.38 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone

2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone (PubChem CID 97077546) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone
PubChem CID97077546
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCO[C@H](c2ccsc2)C1
InChIInChI=1S/C16H17NO3S/c18-14-3-1-2-12(8-14)9-16(19)17-5-6-20-15(10-17)13-4-7-21-11-13/h1-4,7-8,11,15,18H,5-6,9-10H2/t15-/m0/s1
InChIKeyCMCLREJHIMQTMA-HNNXBMFYSA-N
XLogP2.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone (CID 97077546) is 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone is O=C(Cc1cccc(O)c1)N1CCO[C@H](c2ccsc2)C1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone?
The InChIKey is CMCLREJHIMQTMA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-14-3-1-2-12(8-14)9-16(19)17-5-6-20-15(10-17)13-4-7-21-11-13/h1-4,7-8,11,15,18H,5-6,9-10H2/t15-/m0/s1.
What are the key properties of 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone?
2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone has a molecular weight of 303.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-[(2R)-2-thiophen-3-ylmorpholin-4-yl]ethanone is sourced from PubChem (CID 97077546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).