5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C16H23NO2 — CID 104961917

IUPAC5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC[C@@H]1CN(C2CCCc3cc(O)ccc32)C[C@H](C)O1
InChIInChI=1S/C16H23NO2/c1-11-9-17(10-12(2)19-11)16-5-3-4-13-8-14(18)6-7-15(13)16/h6-8,11-12,16,18H,3-5,9-10H2,1-2H3/t11-,12+,16?
InChIKeySOVBTPPZGNEOAG-HBBFGDNQSA-N
MW261.37 g/mol
LogP2.88
Rot. Bonds1

About 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 104961917) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID104961917
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESC[C@@H]1CN(C2CCCc3cc(O)ccc32)C[C@H](C)O1
InChIInChI=1S/C16H23NO2/c1-11-9-17(10-12(2)19-11)16-5-3-4-13-8-14(18)6-7-15(13)16/h6-8,11-12,16,18H,3-5,9-10H2,1-2H3/t11-,12+,16?
InChIKeySOVBTPPZGNEOAG-HBBFGDNQSA-N
XLogP2.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 104961917) is 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is C[C@@H]1CN(C2CCCc3cc(O)ccc32)C[C@H](C)O1.
What is the InChIKey of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is SOVBTPPZGNEOAG-HBBFGDNQSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-9-17(10-12(2)19-11)16-5-3-4-13-8-14(18)6-7-15(13)16/h6-8,11-12,16,18H,3-5,9-10H2,1-2H3/t11-,12+,16?.
What are the key properties of 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 261.37 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 104961917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).