3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one

C15H20ClNO4 — CID 102934754

IUPAC3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one
SMILESCC1CN(C(=O)CCOc2cccc(Cl)c2)CC(CO)O1
InChIInChI=1S/C15H20ClNO4/c1-11-8-17(9-14(10-18)21-11)15(19)5-6-20-13-4-2-3-12(16)7-13/h2-4,7,11,14,18H,5-6,8-10H2,1H3
InChIKeyVYTNAYDJZJGNQA-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.72
Rot. Bonds5

About 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one

3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one (PubChem CID 102934754) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one
PubChem CID102934754
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one
SMILESCC1CN(C(=O)CCOc2cccc(Cl)c2)CC(CO)O1
InChIInChI=1S/C15H20ClNO4/c1-11-8-17(9-14(10-18)21-11)15(19)5-6-20-13-4-2-3-12(16)7-13/h2-4,7,11,14,18H,5-6,8-10H2,1H3
InChIKeyVYTNAYDJZJGNQA-UHFFFAOYSA-N
XLogP1.72
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(3-chlorophenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935770
1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one
CID 39381768
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
1-[2-(hydroxymethyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-1-one
CID 81208849
3-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43428056
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one
CID 102934680
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 102934536
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934709
4-[3-(3-chlorophenoxy)propanoyl]piperazine-2,6-dione
CID 66083524
3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 61092207
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one (CID 102934754) is 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one is CC1CN(C(=O)CCOc2cccc(Cl)c2)CC(CO)O1.
What is the InChIKey of 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one?
The InChIKey is VYTNAYDJZJGNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-11-8-17(9-14(10-18)21-11)15(19)5-6-20-13-4-2-3-12(16)7-13/h2-4,7,11,14,18H,5-6,8-10H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one?
3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one has a molecular weight of 313.78 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 102934754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).