3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol

C15H20BrNO4 — CID 166983109

IUPAC3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol
SMILESCOCC1COCCN1c1cc(Br)cc(C2(O)COC2)c1
InChIInChI=1S/C15H20BrNO4/c1-19-7-14-8-20-3-2-17(14)13-5-11(4-12(16)6-13)15(18)9-21-10-15/h4-6,14,18H,2-3,7-10H2,1H3
InChIKeyFMPIIXPOXLRTFZ-UHFFFAOYSA-N
MW358.23 g/mol
LogP1.52
Rot. Bonds4

About 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol

3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol (PubChem CID 166983109) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol
PubChem CID166983109
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol
SMILESCOCC1COCCN1c1cc(Br)cc(C2(O)COC2)c1
InChIInChI=1S/C15H20BrNO4/c1-19-7-14-8-20-3-2-17(14)13-5-11(4-12(16)6-13)15(18)9-21-10-15/h4-6,14,18H,2-3,7-10H2,1H3
InChIKeyFMPIIXPOXLRTFZ-UHFFFAOYSA-N
XLogP1.52
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol?
The IUPAC name of 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol (CID 166983109) is 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol.
What is the SMILES notation for 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol?
The canonical SMILES for 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol is COCC1COCCN1c1cc(Br)cc(C2(O)COC2)c1.
What is the InChIKey of 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol?
The InChIKey is FMPIIXPOXLRTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c1-19-7-14-8-20-3-2-17(14)13-5-11(4-12(16)6-13)15(18)9-21-10-15/h4-6,14,18H,2-3,7-10H2,1H3.
What are the key properties of 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol?
3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol has a molecular weight of 358.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-5-[3-(methoxymethyl)morpholin-4-yl]phenyl]oxetan-3-ol is sourced from PubChem (CID 166983109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).