3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one

C19H21NO2S — CID 137342713

IUPAC3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one
SMILESO=C(C(Cc1ccc(O)cc1)c1ccccc1)N1CCSCC1
InChIInChI=1S/C19H21NO2S/c21-17-8-6-15(7-9-17)14-18(16-4-2-1-3-5-16)19(22)20-10-12-23-13-11-20/h1-9,18,21H,10-14H2
InChIKeyWEDKTXDMLWMXPE-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.29
Rot. Bonds4

About 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one

3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 137342713) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one
PubChem CID137342713
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one
SMILESO=C(C(Cc1ccc(O)cc1)c1ccccc1)N1CCSCC1
InChIInChI=1S/C19H21NO2S/c21-17-8-6-15(7-9-17)14-18(16-4-2-1-3-5-16)19(22)20-10-12-23-13-11-20/h1-9,18,21H,10-14H2
InChIKeyWEDKTXDMLWMXPE-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
(2R)-2-isocyano-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
CID 90702551
4-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]benzenesulfonic acid
CID 142671079
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 97445107
(3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one
CID 42210388
N-(1,2-diphenylethyl)-1,4-thiazepane-4-carboxamide
CID 87000158
1-(4-methylpiperidin-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110407270
[(2S)-2-amino-3-phenylpropanoyl] thiomorpholine-4-carboxylate
CID 90859857
(2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
CID 66546555
(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide
CID 97436317

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one (CID 137342713) is 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one is O=C(C(Cc1ccc(O)cc1)c1ccccc1)N1CCSCC1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is WEDKTXDMLWMXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c21-17-8-6-15(7-9-17)14-18(16-4-2-1-3-5-16)19(22)20-10-12-23-13-11-20/h1-9,18,21H,10-14H2.
What are the key properties of 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one?
3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 327.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 137342713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).