(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C16H22ClNO4 — CID 128989915

IUPAC(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOCC1CN(C(=O)c2c(Cl)cccc2OC)CC(C)(C)O1
InChIInChI=1S/C16H22ClNO4/c1-16(2)10-18(8-11(22-16)9-20-3)15(19)14-12(17)6-5-7-13(14)21-4/h5-7,11H,8-10H2,1-4H3
InChIKeyLFLPFDKQSCNOHH-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.61
Rot. Bonds4

About (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 128989915) has the molecular formula C16H22ClNO4 and a molecular weight of 327.81 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID128989915
Molecular FormulaC16H22ClNO4
Molecular Weight327.81 g/mol
Exact Mass327.12
IUPAC Name(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOCC1CN(C(=O)c2c(Cl)cccc2OC)CC(C)(C)O1
InChIInChI=1S/C16H22ClNO4/c1-16(2)10-18(8-11(22-16)9-20-3)15(19)14-12(17)6-5-7-13(14)21-4/h5-7,11H,8-10H2,1-4H3
InChIKeyLFLPFDKQSCNOHH-UHFFFAOYSA-N
XLogP2.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

2-(2-chlorophenoxy)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485526
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
CID 128978656
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)-2-methylpropan-1-one
CID 129486293
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
furan-3-yl-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 129485837
3-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzonitrile
CID 129485781
2-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]phenoxy]acetonitrile
CID 129484788
2-[2-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]phenoxy]acetonitrile
CID 128978705
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-2-yl)methanone
CID 129484541
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 128964827
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129484746

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 128989915) is (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is COCC1CN(C(=O)c2c(Cl)cccc2OC)CC(C)(C)O1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is LFLPFDKQSCNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO4/c1-16(2)10-18(8-11(22-16)9-20-3)15(19)14-12(17)6-5-7-13(14)21-4/h5-7,11H,8-10H2,1-4H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 327.81 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 128989915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).