(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol

C16H24ClNO2 — CID 54584239

IUPAC(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol
SMILESCCCN1[C@@H](C)[C@](O)(c2cccc(Cl)c2)OCC1(C)C
InChIInChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/m0/s1
InChIKeyXNZHLLAIQAZMMY-BLLLJJGKSA-N
MW297.83 g/mol
LogP3.39
Rot. Bonds3

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

(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol (PubChem CID 54584239) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol
PubChem CID54584239
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol
SMILESCCCN1[C@@H](C)[C@](O)(c2cccc(Cl)c2)OCC1(C)C
InChIInChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/m0/s1
InChIKeyXNZHLLAIQAZMMY-BLLLJJGKSA-N
XLogP3.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol?
The IUPAC name of (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol (CID 54584239) is (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol.
What is the SMILES notation for (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol?
The canonical SMILES for (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol is CCCN1[C@@H](C)[C@](O)(c2cccc(Cl)c2)OCC1(C)C.
What is the InChIKey of (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol?
The InChIKey is XNZHLLAIQAZMMY-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-5-9-18-12(2)16(19,20-11-15(18,3)4)13-7-6-8-14(17)10-13/h6-8,10,12,19H,5,9,11H2,1-4H3/t12-,16+/m0/s1.
What are the key properties of (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol?
(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol has a molecular weight of 297.83 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethyl-4-propylmorpholin-2-ol is sourced from PubChem (CID 54584239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).