1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

C15H20ClNO3 — CID 114777497

IUPAC1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)CN(CC(=O)c2cccc(Cl)c2)CC(CO)O1
InChIInChI=1S/C15H20ClNO3/c1-15(2)10-17(7-13(9-18)20-15)8-14(19)11-4-3-5-12(16)6-11/h3-6,13,18H,7-10H2,1-2H3
InChIKeyFRHJQBUNWLVPIQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (PubChem CID 114777497) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
PubChem CID114777497
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)CN(CC(=O)c2cccc(Cl)c2)CC(CO)O1
InChIInChI=1S/C15H20ClNO3/c1-15(2)10-17(7-13(9-18)20-15)8-14(19)11-4-3-5-12(16)6-11/h3-6,13,18H,7-10H2,1-2H3
InChIKeyFRHJQBUNWLVPIQ-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-(4-methylsulfanylphenyl)ethanone
CID 114777499
1-(2,5-difluorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777430
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778552
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554
[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776448
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62025148
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-chlorophenyl)ethanone
CID 115560604
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
[6,6-dimethyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 114779835

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (CID 114777497) is 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is CC1(C)CN(CC(=O)c2cccc(Cl)c2)CC(CO)O1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The InChIKey is FRHJQBUNWLVPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-15(2)10-17(7-13(9-18)20-15)8-14(19)11-4-3-5-12(16)6-11/h3-6,13,18H,7-10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone has a molecular weight of 297.78 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 114777497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).