[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone

C18H24ClNO3 — CID 56786709

IUPAC[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)C1(C)CCOCC1
InChIInChI=1S/C18H24ClNO3/c1-13-12-23-16(14-5-3-4-6-15(14)19)11-20(13)17(21)18(2)7-9-22-10-8-18/h3-6,13,16H,7-12H2,1-2H3
InChIKeyATTDWGOLSAFQBZ-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.45
Rot. Bonds2

About [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone

[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone (PubChem CID 56786709) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
PubChem CID56786709
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)C1(C)CCOCC1
InChIInChI=1S/C18H24ClNO3/c1-13-12-23-16(14-5-3-4-6-15(14)19)11-20(13)17(21)18(2)7-9-22-10-8-18/h3-6,13,16H,7-12H2,1-2H3
InChIKeyATTDWGOLSAFQBZ-UHFFFAOYSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone (CID 56786709) is [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone is CC1COC(c2ccccc2Cl)CN1C(=O)C1(C)CCOCC1.
What is the InChIKey of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone?
The InChIKey is ATTDWGOLSAFQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-13-12-23-16(14-5-3-4-6-15(14)19)11-20(13)17(21)18(2)7-9-22-10-8-18/h3-6,13,16H,7-12H2,1-2H3.
What are the key properties of [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone?
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone has a molecular weight of 337.85 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone is sourced from PubChem (CID 56786709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).