1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol

C16H23NO3S — CID 3029377

IUPAC1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1cccc2c1SCCC2)CN1CCOCC1
InChIInChI=1S/C16H23NO3S/c18-14(11-17-6-8-19-9-7-17)12-20-15-5-1-3-13-4-2-10-21-16(13)15/h1,3,5,14,18H,2,4,6-12H2
InChIKeyMKSATUVRANXEPP-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.80
Rot. Bonds5

About 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol

1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol (PubChem CID 3029377) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol
PubChem CID3029377
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1cccc2c1SCCC2)CN1CCOCC1
InChIInChI=1S/C16H23NO3S/c18-14(11-17-6-8-19-9-7-17)12-20-15-5-1-3-13-4-2-10-21-16(13)15/h1,3,5,14,18H,2,4,6-12H2
InChIKeyMKSATUVRANXEPP-UHFFFAOYSA-N
XLogP1.80
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1H-inden-4-yloxy)-3-morpholin-4-ylpropan-2-ol
CID 3051477
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
1-morpholin-4-yl-3-quinolin-8-yloxypropan-2-ol
CID 3069803
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72898537
1-[2-(azetidin-1-ylmethyl)-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72845119
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
CID 2058887
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
(2R)-1-[2-[(3S)-3-methylpiperidin-1-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97243448
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29023159

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol (CID 3029377) is 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol is OC(COc1cccc2c1SCCC2)CN1CCOCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is MKSATUVRANXEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-14(11-17-6-8-19-9-7-17)12-20-15-5-1-3-13-4-2-10-21-16(13)15/h1,3,5,14,18H,2,4,6-12H2.
What are the key properties of 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol?
1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 309.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thiochromen-8-yloxy)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 3029377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).