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

C19H20BrNO3 — CID 1331148

IUPAC(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(C[C@@H](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/t16-/m0/s1
InChIKeyKBYBAHBQDVXJOU-INIZCTEOSA-N
MW390.28 g/mol
LogP3.54
Rot. Bonds4

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

(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 1331148) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is (3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID1331148
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(C[C@@H](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/t16-/m0/s1
InChIKeyKBYBAHBQDVXJOU-INIZCTEOSA-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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Related Compounds

(3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314551
(3R)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314550
(3S)-3-(2-hydroxy-5-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 40595933
(3S)-3-(2-hydroxy-4-methylphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 740584
(3R)-3-(furan-2-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 948351
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
3-anilino-1-morpholin-4-yl-3-phenylpropan-1-one
CID 13116197
4-[(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanoyl]piperazine-1-carbaldehyde
CID 2012457

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of (3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (CID 1331148) is (3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for (3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for (3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1O)N1CCOCC1.
What is the InChIKey of (3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is KBYBAHBQDVXJOU-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of (3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
(3S)-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 (3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 1331148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).