3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol

C13H16BrNO3 — CID 163230963

IUPAC3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol
SMILESOC1(c2cc(Br)cc(N3CCOCC3)c2)COC1
InChIInChI=1S/C13H16BrNO3/c14-11-5-10(13(16)8-18-9-13)6-12(7-11)15-1-3-17-4-2-15/h5-7,16H,1-4,8-9H2
InChIKeyXAQAZZLKYWZJQX-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.50
Rot. Bonds2

About 3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol

3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol (PubChem CID 163230963) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol
PubChem CID163230963
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol
SMILESOC1(c2cc(Br)cc(N3CCOCC3)c2)COC1
InChIInChI=1S/C13H16BrNO3/c14-11-5-10(13(16)8-18-9-13)6-12(7-11)15-1-3-17-4-2-15/h5-7,16H,1-4,8-9H2
InChIKeyXAQAZZLKYWZJQX-UHFFFAOYSA-N
XLogP1.50
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.50
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-morpholin-4-ylphenyl)oxetan-3-ol?
The IUPAC name of 3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol (CID 163230963) is 3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol.
What is the SMILES notation for 3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol?
The canonical SMILES for 3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol is OC1(c2cc(Br)cc(N3CCOCC3)c2)COC1.
What is the InChIKey of 3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol?
The InChIKey is XAQAZZLKYWZJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-11-5-10(13(16)8-18-9-13)6-12(7-11)15-1-3-17-4-2-15/h5-7,16H,1-4,8-9H2.
What are the key properties of 3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol?
3-(3-bromo-5-morpholin-4-ylphenyl)oxetan-3-ol has a molecular weight of 314.18 g/mol, XLogP of 1.50, 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-morpholin-4-ylphenyl)oxetan-3-ol is sourced from PubChem (CID 163230963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).