1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone

C13H16ClNO3 — CID 81204973

IUPAC1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-9(17)10-2-3-13(12(14)6-10)15-4-5-18-11(7-15)8-16/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeyQLGRFQVFYMVHLM-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.74
Rot. Bonds3

About 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone

1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone (PubChem CID 81204973) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
PubChem CID81204973
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-9(17)10-2-3-13(12(14)6-10)15-4-5-18-11(7-15)8-16/h2-3,6,11,16H,4-5,7-8H2,1H3
InChIKeyQLGRFQVFYMVHLM-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrophenyl]ethanone
CID 79839438
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone
CID 114777207
[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
CID 81204298
1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 175171832
1-[3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)phenyl]ethanone
CID 106669916
4-[2-(hydroxymethyl)morpholin-4-yl]-3-nitrobenzoic acid
CID 81204138
3-amino-N-ethyl-4-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 82999408
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
1-[3-chloro-4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethanone
CID 94830564
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
1-[3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]ethanone
CID 114678928
1-[3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 64599153

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone (CID 81204973) is 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCOC(CO)C2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone?
The InChIKey is QLGRFQVFYMVHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9(17)10-2-3-13(12(14)6-10)15-4-5-18-11(7-15)8-16/h2-3,6,11,16H,4-5,7-8H2,1H3.
What are the key properties of 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone?
1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone has a molecular weight of 269.73 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone is sourced from PubChem (CID 81204973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).