2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone

C19H21NO4 — CID 31414964

IUPAC2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H21NO4/c1-22-16-9-5-6-10-17(16)24-14-19(21)20-11-12-23-18(13-20)15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyMFGHDYKEOMQNLH-SFHVURJKSA-N
MW327.38 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone

2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone (PubChem CID 31414964) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
PubChem CID31414964
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H21NO4/c1-22-16-9-5-6-10-17(16)24-14-19(21)20-11-12-23-18(13-20)15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyMFGHDYKEOMQNLH-SFHVURJKSA-N
XLogP2.67
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone (CID 31414964) is 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone is COc1ccccc1OCC(=O)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone?
The InChIKey is MFGHDYKEOMQNLH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-16-9-5-6-10-17(16)24-14-19(21)20-11-12-23-18(13-20)15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone?
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone has a molecular weight of 327.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone is sourced from PubChem (CID 31414964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).