2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol

C18H27NO2 — CID 104960111

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol
SMILESC[C@@H]1CN(C2CC(c3ccccc3)CCC2O)C[C@H](C)O1
InChIInChI=1S/C18H27NO2/c1-13-11-19(12-14(2)21-13)17-10-16(8-9-18(17)20)15-6-4-3-5-7-15/h3-7,13-14,16-18,20H,8-12H2,1-2H3/t13-,14+,16?,17?,18?
InChIKeyPIJOKADJUJOTHW-DJOPCMNMSA-N
MW289.42 g/mol
LogP2.79
Rot. Bonds2

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol (PubChem CID 104960111) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol
PubChem CID104960111
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol
SMILESC[C@@H]1CN(C2CC(c3ccccc3)CCC2O)C[C@H](C)O1
InChIInChI=1S/C18H27NO2/c1-13-11-19(12-14(2)21-13)17-10-16(8-9-18(17)20)15-6-4-3-5-7-15/h3-7,13-14,16-18,20H,8-12H2,1-2H3/t13-,14+,16?,17?,18?
InChIKeyPIJOKADJUJOTHW-DJOPCMNMSA-N
XLogP2.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol (CID 104960111) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol is C[C@@H]1CN(C2CC(c3ccccc3)CCC2O)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol?
The InChIKey is PIJOKADJUJOTHW-DJOPCMNMSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-11-19(12-14(2)21-13)17-10-16(8-9-18(17)20)15-6-4-3-5-7-15/h3-7,13-14,16-18,20H,8-12H2,1-2H3/t13-,14+,16?,17?,18?.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 104960111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).