(2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol

C12H16ClNO2 — CID 134848321

IUPAC(2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol
SMILESCN1CCO[C@](C)(O)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-12(15)11(14(2)7-8-16-12)9-3-5-10(13)6-4-9/h3-6,11,15H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyHYECFQXNGDLNAD-RYUDHWBXSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds1

About (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol

(2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol (PubChem CID 134848321) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol
PubChem CID134848321
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol
SMILESCN1CCO[C@](C)(O)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-12(15)11(14(2)7-8-16-12)9-3-5-10(13)6-4-9/h3-6,11,15H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyHYECFQXNGDLNAD-RYUDHWBXSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ML398
CID 72737723
(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol
CID 46837924
(2S,3S)-2-(4-chlorophenyl)-3,4,5,5-tetramethylmorpholin-2-ol
CID 46837925
(S,S)-2-(3''-Chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholine
CID 54583277
(S,S)-2-(3''-Chlorophenyl)-3,5,5-trimethyl-4-propylmorpholine
CID 54584239
Morpholine, 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)-, (2R)-
CID 72737767
Morpholine, 4-(1-(p-chlorophenyl)butyl)-, hydrochloride
CID 3057363
2-Methyl-1-morpholino-1-phenylpropan-2-ol
CID 46885514
3-(4-chlorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767408
1-Piperidineethanol, beta-(p-chlorophenyl)-
CID 202143
1-Piperazineethanol, beta-(p-chlorophenyl)-4-methyl-
CID 202144
3,4-Piperidinediol, 6-(4-chlorophenyl)-1,3-dimethyl-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051060

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol?
The IUPAC name of (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol (CID 134848321) is (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol.
What is the SMILES notation for (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol?
The canonical SMILES for (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol is CN1CCO[C@](C)(O)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol?
The InChIKey is HYECFQXNGDLNAD-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(15)11(14(2)7-8-16-12)9-3-5-10(13)6-4-9/h3-6,11,15H,7-8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol?
(2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol has a molecular weight of 241.72 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-chlorophenyl)-2,4-dimethylmorpholin-2-ol is sourced from PubChem (CID 134848321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).