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

C13H16ClNO3 — CID 81208288

IUPAC2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCOC(CO)C1
InChIInChI=1S/C13H16ClNO3/c14-11-3-1-10(2-4-11)7-13(17)15-5-6-18-12(8-15)9-16/h1-4,12,16H,5-9H2
InChIKeyCKIHHWSGLSZLIZ-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.10
Rot. Bonds3

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

2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 81208288) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID81208288
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCOC(CO)C1
InChIInChI=1S/C13H16ClNO3/c14-11-3-1-10(2-4-11)7-13(17)15-5-6-18-12(8-15)9-16/h1-4,12,16H,5-9H2
InChIKeyCKIHHWSGLSZLIZ-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 81196890
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-(4-chlorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 81428539
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
CID 56755872
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone (CID 81208288) is 2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCOC(CO)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is CKIHHWSGLSZLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-11-3-1-10(2-4-11)7-13(17)15-5-6-18-12(8-15)9-16/h1-4,12,16H,5-9H2.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 269.73 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 81208288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).