(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one

C13H15Cl2NO3 — CID 95165980

IUPAC(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H15Cl2NO3/c1-9(13(17)16-2-4-18-5-3-16)19-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3/t9-/m0/s1
InChIKeyOHVDDJQMUKKYGX-VIFPVBQESA-N
MW304.17 g/mol
LogP2.62
Rot. Bonds3

About (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one

(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 95165980) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID95165980
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C13H15Cl2NO3/c1-9(13(17)16-2-4-18-5-3-16)19-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3/t9-/m0/s1
InChIKeyOHVDDJQMUKKYGX-VIFPVBQESA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2S)-1-(4-acetylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)propan-1-one
CID 95286382
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 62074940
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43516184
2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one
CID 21101274
1-[(2S)-2-(3,5-dichlorophenoxy)propanoyl]-1,4-diazepan-5-one
CID 99773786
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
2-(3,5-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647802
(2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 94811457
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one (CID 95165980) is (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one is C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is OHVDDJQMUKKYGX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-9(13(17)16-2-4-18-5-3-16)19-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one?
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 304.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95165980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).