(6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one

C18H19NO4 — CID 86339616

IUPAC(6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one
SMILESCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNC(=O)CO1
InChIInChI=1S/C18H19NO4/c1-21-14-9-5-6-10-15(14)23-18(13-7-3-2-4-8-13)16-11-19-17(20)12-22-16/h2-10,16,18H,11-12H2,1H3,(H,19,20)/t16-,18+/m1/s1
InChIKeyWEPVNQORJVPFBY-AEFFLSMTSA-N
MW313.35 g/mol
LogP2.33
Rot. Bonds5

About (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one

(6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one (PubChem CID 86339616) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one
PubChem CID86339616
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one
SMILESCOc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNC(=O)CO1
InChIInChI=1S/C18H19NO4/c1-21-14-9-5-6-10-15(14)23-18(13-7-3-2-4-8-13)16-11-19-17(20)12-22-16/h2-10,16,18H,11-12H2,1H3,(H,19,20)/t16-,18+/m1/s1
InChIKeyWEPVNQORJVPFBY-AEFFLSMTSA-N
XLogP2.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one?
The IUPAC name of (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one (CID 86339616) is (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one.
What is the SMILES notation for (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one?
The canonical SMILES for (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one is COc1ccccc1O[C@@H](c1ccccc1)[C@H]1CNC(=O)CO1.
What is the InChIKey of (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one?
The InChIKey is WEPVNQORJVPFBY-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-14-9-5-6-10-15(14)23-18(13-7-3-2-4-8-13)16-11-19-17(20)12-22-16/h2-10,16,18H,11-12H2,1H3,(H,19,20)/t16-,18+/m1/s1.
What are the key properties of (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one?
(6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one has a molecular weight of 313.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(S)-(2-methoxyphenoxy)-phenylmethyl]morpholin-3-one is sourced from PubChem (CID 86339616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).