(2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol

C19H23NO2 — CID 46837783

IUPAC(2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol
SMILESC[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-14-19(21,22-13-18(2,3)20-14)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20-21H,13H2,1-3H3/t14-,19+/m0/s1
InChIKeyCWQJTYANMLPKAM-IFXJQAMLSA-N
MW297.40 g/mol
LogP3.29
Rot. Bonds2

About (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol

(2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol (PubChem CID 46837783) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol
PubChem CID46837783
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol
SMILESC[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-14-19(21,22-13-18(2,3)20-14)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20-21H,13H2,1-3H3/t14-,19+/m0/s1
InChIKeyCWQJTYANMLPKAM-IFXJQAMLSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol?
The IUPAC name of (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol (CID 46837783) is (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol.
What is the SMILES notation for (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol?
The canonical SMILES for (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol is C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol?
The InChIKey is CWQJTYANMLPKAM-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-19(21,22-13-18(2,3)20-14)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,20-21H,13H2,1-3H3/t14-,19+/m0/s1.
What are the key properties of (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol?
(2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol has a molecular weight of 297.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3,5,5-trimethyl-2-(4-phenylphenyl)morpholin-2-ol is sourced from PubChem (CID 46837783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).