(2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol

C15H21NO2 — CID 11139455

IUPAC(2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol
SMILESCC(C)=CC[C@H]1N[C@H](c2ccccc2)CO[C@H]1O
InChIInChI=1S/C15H21NO2/c1-11(2)8-9-13-15(17)18-10-14(16-13)12-6-4-3-5-7-12/h3-8,13-17H,9-10H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyFKQKMNMYTDAYSL-QLFBSQMISA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds3

About (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol

(2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol (PubChem CID 11139455) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol.

Molecular Properties

Compound Name(2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol
PubChem CID11139455
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol
SMILESCC(C)=CC[C@H]1N[C@H](c2ccccc2)CO[C@H]1O
InChIInChI=1S/C15H21NO2/c1-11(2)8-9-13-15(17)18-10-14(16-13)12-6-4-3-5-7-12/h3-8,13-17H,9-10H2,1-2H3/t13-,14+,15-/m1/s1
InChIKeyFKQKMNMYTDAYSL-QLFBSQMISA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol?
The IUPAC name of (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol (CID 11139455) is (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol.
What is the SMILES notation for (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol?
The canonical SMILES for (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol is CC(C)=CC[C@H]1N[C@H](c2ccccc2)CO[C@H]1O.
What is the InChIKey of (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol?
The InChIKey is FKQKMNMYTDAYSL-QLFBSQMISA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)8-9-13-15(17)18-10-14(16-13)12-6-4-3-5-7-12/h3-8,13-17H,9-10H2,1-2H3/t13-,14+,15-/m1/s1.
What are the key properties of (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol?
(2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol has a molecular weight of 247.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-3-(3-methylbut-2-enyl)-5-phenylmorpholin-2-ol is sourced from PubChem (CID 11139455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).