2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

C14H18ClNO3 — CID 102934709

IUPAC2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)Cc2ccccc2Cl)CC(CO)O1
InChIInChI=1S/C14H18ClNO3/c1-10-7-16(8-12(9-17)19-10)14(18)6-11-4-2-3-5-13(11)15/h2-5,10,12,17H,6-9H2,1H3
InChIKeyMUYYAOMJTPXBMQ-UHFFFAOYSA-N
MW283.75 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone

2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (PubChem CID 102934709) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
PubChem CID102934709
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
SMILESCC1CN(C(=O)Cc2ccccc2Cl)CC(CO)O1
InChIInChI=1S/C14H18ClNO3/c1-10-7-16(8-12(9-17)19-10)14(18)6-11-4-2-3-5-13(11)15/h2-5,10,12,17H,6-9H2,1H3
InChIKeyMUYYAOMJTPXBMQ-UHFFFAOYSA-N
XLogP1.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931485
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 102934348
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 102934069
2-(2,5-dimethylphenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934393
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102934064
2-[4-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931537
(3S,4S)-1-[2-(2-chlorophenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98536830
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
2-[2-(aminomethyl)phenoxy]-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102931538
2-[(R)-(2-chlorophenyl)methylsulfinyl]-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanone
CID 100701243
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 102934123
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone (CID 102934709) is 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is CC1CN(C(=O)Cc2ccccc2Cl)CC(CO)O1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
The InChIKey is MUYYAOMJTPXBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-7-16(8-12(9-17)19-10)14(18)6-11-4-2-3-5-13(11)15/h2-5,10,12,17H,6-9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone?
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone has a molecular weight of 283.75 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 102934709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).