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

C15H20ClNO3 — CID 114777207

IUPAC1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(CO)OC(C)(C)C2)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(19)11-4-5-14(13(16)6-11)17-7-12(8-18)20-15(2,3)9-17/h4-6,12,18H,7-9H2,1-3H3
InChIKeyCZLAMTDUDHTSOP-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.52
Rot. Bonds3

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

1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone (PubChem CID 114777207) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone
PubChem CID114777207
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(CO)OC(C)(C)C2)c(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-10(19)11-4-5-14(13(16)6-11)17-7-12(8-18)20-15(2,3)9-17/h4-6,12,18H,7-9H2,1-3H3
InChIKeyCZLAMTDUDHTSOP-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 81204973
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 114777393
[4-[2-chloro-4-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777539
4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
CID 114776221
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
[4-(4-chloro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779472
1-[3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)phenyl]ethanone
CID 106669916
[4-(4-chloro-5-fluoro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779331
5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777109
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone (CID 114777207) is 1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone is CC(=O)c1ccc(N2CC(CO)OC(C)(C)C2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone?
The InChIKey is CZLAMTDUDHTSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(19)11-4-5-14(13(16)6-11)17-7-12(8-18)20-15(2,3)9-17/h4-6,12,18H,7-9H2,1-3H3.
What are the key properties of 1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone?
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone has a molecular weight of 297.78 g/mol, XLogP of 2.52, 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-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanone is sourced from PubChem (CID 114777207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).