3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one

C15H20ClNO4 — CID 81196288

IUPAC3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCC1COC(CO)CN1C(=O)CCOc1ccccc1Cl
InChIInChI=1S/C15H20ClNO4/c1-11-10-21-12(9-18)8-17(11)15(19)6-7-20-14-5-3-2-4-13(14)16/h2-5,11-12,18H,6-10H2,1H3
InChIKeyWRUPGVHYWZZPKD-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.72
Rot. Bonds5

About 3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one

3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one (PubChem CID 81196288) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
PubChem CID81196288
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
SMILESCC1COC(CO)CN1C(=O)CCOc1ccccc1Cl
InChIInChI=1S/C15H20ClNO4/c1-11-10-21-12(9-18)8-17(11)15(19)6-7-20-14-5-3-2-4-13(14)16/h2-5,11-12,18H,6-10H2,1H3
InChIKeyWRUPGVHYWZZPKD-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

2-(2,3-dichlorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 124741603
2-(2,3-dichlorophenyl)-1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 124741604
2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81197762
1-[2-(bromomethyl)-5-methylmorpholin-4-yl]-3-phenoxypropan-1-one
CID 81212080
N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide
CID 81218679
3-ethoxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81209141
4-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 81194547
2-(2-chloro-4-fluorophenyl)-1-[(2S,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703392
2-(2-chloro-4-fluorophenyl)-1-[(2S,5S)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 99703393
(2-chloro-6-fluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81209256
1-[2-(chloromethyl)-5-methylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 81212369
(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513402

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one (CID 81196288) is 3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one is CC1COC(CO)CN1C(=O)CCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
The InChIKey is WRUPGVHYWZZPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-11-10-21-12(9-18)8-17(11)15(19)6-7-20-14-5-3-2-4-13(14)16/h2-5,11-12,18H,6-10H2,1H3.
What are the key properties of 3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one?
3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-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-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 81196288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).