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

C13H16ClNO3 — CID 81204174

IUPAC1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(CO)C1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO3/c14-12-4-2-1-3-11(12)13(17)8-15-5-6-18-10(7-15)9-16/h1-4,10,16H,5-9H2
InChIKeyOZXJMIUILJVRFX-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.22
Rot. Bonds4

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

1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 81204174) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID81204174
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(CO)C1)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO3/c14-12-4-2-1-3-11(12)13(17)8-15-5-6-18-10(7-15)9-16/h1-4,10,16H,5-9H2
InChIKeyOZXJMIUILJVRFX-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81204171
2-[2-(hydroxymethyl)morpholin-4-yl]-N-methyl-N-phenylacetamide
CID 79833459
1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106670373
1-(2-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170720
N-[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]-2-phenylacetamide
CID 81208046
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
2-[(2R)-2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]acetamide
CID 99979731
2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-(2-methylphenyl)acetamide
CID 79835037
1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79833113

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone (CID 81204174) is 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone is O=C(CN1CCOC(CO)C1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is OZXJMIUILJVRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-12-4-2-1-3-11(12)13(17)8-15-5-6-18-10(7-15)9-16/h1-4,10,16H,5-9H2.
What are the key properties of 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 269.73 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 81204174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).