1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

C14H17Cl2NO3 — CID 81204933

IUPAC1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N1CCOC(CO)C1
InChIInChI=1S/C14H17Cl2NO3/c1-9(17-4-5-20-11(7-17)8-18)14(19)12-3-2-10(15)6-13(12)16/h2-3,6,9,11,18H,4-5,7-8H2,1H3
InChIKeyUOYJJBSYBYFTIY-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one

1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (PubChem CID 81204933) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
PubChem CID81204933
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)N1CCOC(CO)C1
InChIInChI=1S/C14H17Cl2NO3/c1-9(17-4-5-20-11(7-17)8-18)14(19)12-3-2-10(15)6-13(12)16/h2-3,6,9,11,18H,4-5,7-8H2,1H3
InChIKeyUOYJJBSYBYFTIY-UHFFFAOYSA-N
XLogP2.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204175
1-(2,4-dichlorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114679261
1-(4-ethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81204702
2-(3-aminopiperidin-1-yl)-1-(2,4-dichlorophenyl)propan-1-one
CID 62037868
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)propan-1-one
CID 43796552
2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one
CID 81204253
2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710540
2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433750
1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62467958
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 60871958
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one (CID 81204933) is 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is CC(C(=O)c1ccc(Cl)cc1Cl)N1CCOC(CO)C1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
The InChIKey is UOYJJBSYBYFTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-9(17-4-5-20-11(7-17)8-18)14(19)12-3-2-10(15)6-13(12)16/h2-3,6,9,11,18H,4-5,7-8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one?
1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one has a molecular weight of 318.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 81204933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).