2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone

C15H20ClNO4 — CID 81197762

IUPAC2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCc1ccc(Cl)c(OCC(=O)N2CC(CO)OCC2C)c1
InChIInChI=1S/C15H20ClNO4/c1-10-3-4-13(16)14(5-10)21-9-15(19)17-6-12(7-18)20-8-11(17)2/h3-5,11-12,18H,6-9H2,1-2H3
InChIKeyWKRDRYUACSPJKH-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.64
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone

2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (PubChem CID 81197762) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
PubChem CID81197762
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCc1ccc(Cl)c(OCC(=O)N2CC(CO)OCC2C)c1
InChIInChI=1S/C15H20ClNO4/c1-10-3-4-13(16)14(5-10)21-9-15(19)17-6-12(7-18)20-8-11(17)2/h3-5,11-12,18H,6-9H2,1-2H3
InChIKeyWKRDRYUACSPJKH-UHFFFAOYSA-N
XLogP1.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (CID 81197762) is 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is Cc1ccc(Cl)c(OCC(=O)N2CC(CO)OCC2C)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The InChIKey is WKRDRYUACSPJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10-3-4-13(16)14(5-10)21-9-15(19)17-6-12(7-18)20-8-11(17)2/h3-5,11-12,18H,6-9H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone has a molecular weight of 313.78 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 81197762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).