(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one

C13H17NO4 — CID 86330978

IUPAC(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one
SMILESCCOc1ccccc1OC[C@H]1CNC(=O)CO1
InChIInChI=1S/C13H17NO4/c1-2-16-11-5-3-4-6-12(11)18-8-10-7-14-13(15)9-17-10/h3-6,10H,2,7-9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeySLTGTEZJMITYRS-SNVBAGLBSA-N
MW251.28 g/mol
LogP0.98
Rot. Bonds5

About (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one

(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one (PubChem CID 86330978) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one
PubChem CID86330978
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one
SMILESCCOc1ccccc1OC[C@H]1CNC(=O)CO1
InChIInChI=1S/C13H17NO4/c1-2-16-11-5-3-4-6-12(11)18-8-10-7-14-13(15)9-17-10/h3-6,10H,2,7-9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeySLTGTEZJMITYRS-SNVBAGLBSA-N
XLogP0.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
CID 66849130
CID 66849130
4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one
CID 171748740
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
methanesulfonic acid;5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 87722700
6-(ethylaminomethyl)morpholin-3-one
CID 105430931
5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 15337813
2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 174902132
(5R)-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
CID 754370
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one;prop-2-enoic acid
CID 66663546

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one?
The IUPAC name of (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one (CID 86330978) is (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one.
What is the SMILES notation for (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one?
The canonical SMILES for (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one is CCOc1ccccc1OC[C@H]1CNC(=O)CO1.
What is the InChIKey of (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one?
The InChIKey is SLTGTEZJMITYRS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-16-11-5-3-4-6-12(11)18-8-10-7-14-13(15)9-17-10/h3-6,10H,2,7-9H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one?
(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one has a molecular weight of 251.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one is sourced from PubChem (CID 86330978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).