(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol

C17H20ClNO3 — CID 2058887

IUPAC(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](COc1ccc2ccccc2c1Cl)CN1CCOCC1
InChIInChI=1S/C17H20ClNO3/c18-17-15-4-2-1-3-13(15)5-6-16(17)22-12-14(20)11-19-7-9-21-10-8-19/h1-6,14,20H,7-12H2/t14-/m1/s1
InChIKeyAAOASDWEYNETMY-CQSZACIVSA-N
MW321.80 g/mol
LogP2.57
Rot. Bonds5

About (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol

(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 2058887) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID2058887
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](COc1ccc2ccccc2c1Cl)CN1CCOCC1
InChIInChI=1S/C17H20ClNO3/c18-17-15-4-2-1-3-13(15)5-6-16(17)22-12-14(20)11-19-7-9-21-10-8-19/h1-6,14,20H,7-12H2/t14-/m1/s1
InChIKeyAAOASDWEYNETMY-CQSZACIVSA-N
XLogP2.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
1-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-3-(1-chloronaphthalen-2-yl)oxypropan-2-ol
CID 3458952
1-morpholin-4-yl-3-quinolin-8-yloxypropan-2-ol
CID 3069803
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
CID 714826
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol
CID 7125230
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 660609
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
1-(2,3-dihydro-1H-inden-4-yloxy)-3-morpholin-4-ylpropan-2-ol
CID 3051477
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 157064846

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol (CID 2058887) is (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol is O[C@@H](COc1ccc2ccccc2c1Cl)CN1CCOCC1.
What is the InChIKey of (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is AAOASDWEYNETMY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClNO3/c18-17-15-4-2-1-3-13(15)5-6-16(17)22-12-14(20)11-19-7-9-21-10-8-19/h1-6,14,20H,7-12H2/t14-/m1/s1.
What are the key properties of (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol?
(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 321.80 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-chloronaphthalen-2-yl)oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 2058887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).