3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol

C15H20BrNO3 — CID 166983253

IUPAC3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol
SMILESC[C@@H]1COCCN1c1cc(Br)cc(C2(O)CCOC2)c1
InChIInChI=1S/C15H20BrNO3/c1-11-9-19-5-3-17(11)14-7-12(6-13(16)8-14)15(18)2-4-20-10-15/h6-8,11,18H,2-5,9-10H2,1H3/t11-,15?/m1/s1
InChIKeyLSBZAMKGGKZLDW-ZRKZCGFPSA-N
MW342.23 g/mol
LogP2.28
Rot. Bonds2

About 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol

3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol (PubChem CID 166983253) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol
PubChem CID166983253
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol
SMILESC[C@@H]1COCCN1c1cc(Br)cc(C2(O)CCOC2)c1
InChIInChI=1S/C15H20BrNO3/c1-11-9-19-5-3-17(11)14-7-12(6-13(16)8-14)15(18)2-4-20-10-15/h6-8,11,18H,2-5,9-10H2,1H3/t11-,15?/m1/s1
InChIKeyLSBZAMKGGKZLDW-ZRKZCGFPSA-N
XLogP2.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol?
The IUPAC name of 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol (CID 166983253) is 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol.
What is the SMILES notation for 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol?
The canonical SMILES for 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol is C[C@@H]1COCCN1c1cc(Br)cc(C2(O)CCOC2)c1.
What is the InChIKey of 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol?
The InChIKey is LSBZAMKGGKZLDW-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-11-9-19-5-3-17(11)14-7-12(6-13(16)8-14)15(18)2-4-20-10-15/h6-8,11,18H,2-5,9-10H2,1H3/t11-,15?/m1/s1.
What are the key properties of 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol?
3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol has a molecular weight of 342.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-5-[(3R)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol is sourced from PubChem (CID 166983253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).