(2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol

C14H20ClNO2 — CID 46837925

IUPAC(2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol
SMILESC[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-10-14(17,11-5-7-12(15)8-6-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/m0/s1
InChIKeyXVUDIIQDUSBBTF-IINYFYTJSA-N
MW269.77 g/mol
LogP2.61
Rot. Bonds1

About (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol

(2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol (PubChem CID 46837925) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol
PubChem CID46837925
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol
SMILESC[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-10-14(17,11-5-7-12(15)8-6-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/m0/s1
InChIKeyXVUDIIQDUSBBTF-IINYFYTJSA-N
XLogP2.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol?
The IUPAC name of (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol (CID 46837925) is (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol.
What is the SMILES notation for (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol?
The canonical SMILES for (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol is C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1.
What is the InChIKey of (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol?
The InChIKey is XVUDIIQDUSBBTF-IINYFYTJSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-14(17,11-5-7-12(15)8-6-11)18-9-13(2,3)16(10)4/h5-8,10,17H,9H2,1-4H3/t10-,14+/m0/s1.
What are the key properties of (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol?
(2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol has a molecular weight of 269.77 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol is sourced from PubChem (CID 46837925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).