(2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol

C19H23NO3 — CID 102404566

IUPAC(2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol
SMILESC[C@@H]1CO[C@@](O)(c2ccc(OCc3ccccc3)cc2)[C@H](C)N1
InChIInChI=1S/C19H23NO3/c1-14-12-23-19(21,15(2)20-14)17-8-10-18(11-9-17)22-13-16-6-4-3-5-7-16/h3-11,14-15,20-21H,12-13H2,1-2H3/t14-,15+,19-/m1/s1
InChIKeyKMXGPEVCFSFVED-ZRGWGRIASA-N
MW313.40 g/mol
LogP2.81
Rot. Bonds4

About (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol

(2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol (PubChem CID 102404566) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol.

Molecular Properties

Compound Name(2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol
PubChem CID102404566
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol
SMILESC[C@@H]1CO[C@@](O)(c2ccc(OCc3ccccc3)cc2)[C@H](C)N1
InChIInChI=1S/C19H23NO3/c1-14-12-23-19(21,15(2)20-14)17-8-10-18(11-9-17)22-13-16-6-4-3-5-7-16/h3-11,14-15,20-21H,12-13H2,1-2H3/t14-,15+,19-/m1/s1
InChIKeyKMXGPEVCFSFVED-ZRGWGRIASA-N
XLogP2.81
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol?
The IUPAC name of (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol (CID 102404566) is (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol.
What is the SMILES notation for (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol?
The canonical SMILES for (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol is C[C@@H]1CO[C@@](O)(c2ccc(OCc3ccccc3)cc2)[C@H](C)N1.
What is the InChIKey of (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol?
The InChIKey is KMXGPEVCFSFVED-ZRGWGRIASA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-12-23-19(21,15(2)20-14)17-8-10-18(11-9-17)22-13-16-6-4-3-5-7-16/h3-11,14-15,20-21H,12-13H2,1-2H3/t14-,15+,19-/m1/s1.
What are the key properties of (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol?
(2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol has a molecular weight of 313.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-3,5-dimethyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol is sourced from PubChem (CID 102404566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).