(3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one

C19H21NO3S — CID 42210388

IUPAC(3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one
SMILESO=C(C[C@@H](c1ccc(O)cc1)c1cccc(O)c1)N1CCSCC1
InChIInChI=1S/C19H21NO3S/c21-16-6-4-14(5-7-16)18(15-2-1-3-17(22)12-15)13-19(23)20-8-10-24-11-9-20/h1-7,12,18,21-22H,8-11,13H2/t18-/m0/s1
InChIKeyUFLWMVYSWNWMPC-SFHVURJKSA-N
MW343.45 g/mol
LogP3.20
Rot. Bonds4

About (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one

(3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 42210388) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one
PubChem CID42210388
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one
SMILESO=C(C[C@@H](c1ccc(O)cc1)c1cccc(O)c1)N1CCSCC1
InChIInChI=1S/C19H21NO3S/c21-16-6-4-14(5-7-16)18(15-2-1-3-17(22)12-15)13-19(23)20-8-10-24-11-9-20/h1-7,12,18,21-22H,8-11,13H2/t18-/m0/s1
InChIKeyUFLWMVYSWNWMPC-SFHVURJKSA-N
XLogP3.20
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 69378792
1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one
CID 45181483
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
(3S)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323827
(3R)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323826
3-(4-hydroxyphenyl)-2-phenyl-1-thiomorpholin-4-ylpropan-1-one
CID 137342713
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
3-(4-aminophenyl)-1-thiomorpholin-4-ylbutan-1-one
CID 104502088
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
(3R)-3-(3-hydroxyphenyl)-1,3-diphenylpropan-1-one
CID 102451950
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one (CID 42210388) is (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one is O=C(C[C@@H](c1ccc(O)cc1)c1cccc(O)c1)N1CCSCC1.
What is the InChIKey of (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is UFLWMVYSWNWMPC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-16-6-4-14(5-7-16)18(15-2-1-3-17(22)12-15)13-19(23)20-8-10-24-11-9-20/h1-7,12,18,21-22H,8-11,13H2/t18-/m0/s1.
What are the key properties of (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one?
(3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 343.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-hydroxyphenyl)-3-(4-hydroxyphenyl)-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 42210388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).