[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone

C14H18ClNO4 — CID 102937319

IUPAC[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(C)OC(CCl)C2)c(O)c1
InChIInChI=1S/C14H18ClNO4/c1-9-7-16(8-11(6-15)20-9)14(18)12-4-3-10(19-2)5-13(12)17/h3-5,9,11,17H,6-8H2,1-2H3
InChIKeyZHELCNPWZNTGAK-UHFFFAOYSA-N
MW299.75 g/mol
LogP1.87
Rot. Bonds3

About [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone

[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone (PubChem CID 102937319) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone
PubChem CID102937319
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(C)OC(CCl)C2)c(O)c1
InChIInChI=1S/C14H18ClNO4/c1-9-7-16(8-11(6-15)20-9)14(18)12-4-3-10(19-2)5-13(12)17/h3-5,9,11,17H,6-8H2,1-2H3
InChIKeyZHELCNPWZNTGAK-UHFFFAOYSA-N
XLogP1.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,5-dihydroxyphenyl)methanone
CID 107726249
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 114801108
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102933143
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931441
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 102937599
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(4-methoxyphenyl)methanone
CID 102938451
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 102937644
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937282

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone (CID 102937319) is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CC(C)OC(CCl)C2)c(O)c1.
What is the InChIKey of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is ZHELCNPWZNTGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-9-7-16(8-11(6-15)20-9)14(18)12-4-3-10(19-2)5-13(12)17/h3-5,9,11,17H,6-8H2,1-2H3.
What are the key properties of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone?
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 299.75 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 102937319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).