3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one

C19H20BrNO3 — CID 2925497

IUPAC3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)N1CCOCC1
InChIInChI=1S/C19H20BrNO3/c20-15-6-7-18(22)17(12-15)16(14-4-2-1-3-5-14)13-19(23)21-8-10-24-11-9-21/h1-7,12,16,22H,8-11,13H2
InChIKeyKBYBAHBQDVXJOU-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.54
Rot. Bonds4

About 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one

3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 2925497) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID2925497
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)N1CCOCC1
InChIInChI=1S/C19H20BrNO3/c20-15-6-7-18(22)17(12-15)16(14-4-2-1-3-5-14)13-19(23)21-8-10-24-11-9-21/h1-7,12,16,22H,8-11,13H2
InChIKeyKBYBAHBQDVXJOU-UHFFFAOYSA-N
XLogP3.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (CID 2925497) is 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is O=C(CC(c1ccccc1)c1cc(Br)ccc1O)N1CCOCC1.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is KBYBAHBQDVXJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c20-15-6-7-18(22)17(12-15)16(14-4-2-1-3-5-14)13-19(23)21-8-10-24-11-9-21/h1-7,12,16,22H,8-11,13H2.
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 390.28 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 2925497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).