(6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one

C18H19NO3 — CID 86339595

IUPAC(6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one
SMILESCc1ccc(O[C@H](c2ccccc2)[C@H]2CNC(=O)CO2)cc1
InChIInChI=1S/C18H19NO3/c1-13-7-9-15(10-8-13)22-18(14-5-3-2-4-6-14)16-11-19-17(20)12-21-16/h2-10,16,18H,11-12H2,1H3,(H,19,20)/t16-,18-/m1/s1
InChIKeyBNOSWOFOWQOIFN-SJLPKXTDSA-N
MW297.35 g/mol
LogP2.63
Rot. Bonds4

About (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one

(6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one (PubChem CID 86339595) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one
PubChem CID86339595
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one
SMILESCc1ccc(O[C@H](c2ccccc2)[C@H]2CNC(=O)CO2)cc1
InChIInChI=1S/C18H19NO3/c1-13-7-9-15(10-8-13)22-18(14-5-3-2-4-6-14)16-11-19-17(20)12-21-16/h2-10,16,18H,11-12H2,1H3,(H,19,20)/t16-,18-/m1/s1
InChIKeyBNOSWOFOWQOIFN-SJLPKXTDSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one?
The IUPAC name of (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one (CID 86339595) is (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one.
What is the SMILES notation for (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one?
The canonical SMILES for (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one is Cc1ccc(O[C@H](c2ccccc2)[C@H]2CNC(=O)CO2)cc1.
What is the InChIKey of (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one?
The InChIKey is BNOSWOFOWQOIFN-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-7-9-15(10-8-13)22-18(14-5-3-2-4-6-14)16-11-19-17(20)12-21-16/h2-10,16,18H,11-12H2,1H3,(H,19,20)/t16-,18-/m1/s1.
What are the key properties of (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one?
(6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one has a molecular weight of 297.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(R)-(4-methylphenoxy)-phenylmethyl]morpholin-3-one is sourced from PubChem (CID 86339595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).