1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone

C16H23NO4 — CID 102933623

IUPAC1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CC(C)OC(CO)C1
InChIInChI=1S/C16H23NO4/c1-11-7-17(9-15(10-18)21-11)8-14-6-13(12(2)19)4-5-16(14)20-3/h4-6,11,15,18H,7-10H2,1-3H3
InChIKeyTZFGOTCLBDXQFA-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.48
Rot. Bonds5

About 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone

1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone (PubChem CID 102933623) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone
PubChem CID102933623
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CC(C)OC(CO)C1
InChIInChI=1S/C16H23NO4/c1-11-7-17(9-15(10-18)21-11)8-14-6-13(12(2)19)4-5-16(14)20-3/h4-6,11,15,18H,7-10H2,1-3H3
InChIKeyTZFGOTCLBDXQFA-UHFFFAOYSA-N
XLogP1.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935974
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]-3-methoxyphenyl]ethanone
CID 7379476
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
[4-[(2-fluoro-4-methoxyphenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935432
1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 9257709
1-[4-methoxy-3-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]ethanone
CID 103714072
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-4-carbaldehyde
CID 62656647

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone (CID 102933623) is 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1CN1CC(C)OC(CO)C1.
What is the InChIKey of 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone?
The InChIKey is TZFGOTCLBDXQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-7-17(9-15(10-18)21-11)8-14-6-13(12(2)19)4-5-16(14)20-3/h4-6,11,15,18H,7-10H2,1-3H3.
What are the key properties of 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone?
1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone has a molecular weight of 293.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 102933623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).