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

C19H20ClNO3 — CID 2952392

IUPAC3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)N1CCOCC1
InChIInChI=1S/C19H20ClNO3/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
InChIKeyZLKNHHFIWKKHRC-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.43
Rot. Bonds4

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

3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 2952392) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID2952392
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)N1CCOCC1
InChIInChI=1S/C19H20ClNO3/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
InChIKeyZLKNHHFIWKKHRC-UHFFFAOYSA-N
XLogP3.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2-[3-oxo-1-phenyl-3-(1-pyrrolidinyl)propyl]phenol
CID 2963071
3-(2-Hydroxyphenyl)-3-phenyl-1-(piperidin-1-yl)propan-1-one
CID 3149891
3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
CID 3155496
3-(2-Hydroxy-phenyl)-N-(2-morpholin-4-yl-ethyl)-3-phenyl-propionamide
CID 655118
3-(2-Hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 2852618
3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 2951426
N-benzyl-3-(5-chloro-2-hydroxyphenyl)-N-methyl-3-phenylpropanamide
CID 2960667
4-Chloro-2-[3-oxo-1-phenyl-3-(1-piperidinyl)propyl]phenol
CID 4646696
Cambridge id 7059558
CID 44828400
3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 45227792
(3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
CID 25456349
(4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 26643165

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one (CID 2952392) is 3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is O=C(CC(c1ccccc1)c1cc(Cl)ccc1O)N1CCOCC1.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is ZLKNHHFIWKKHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/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-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one?
3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 345.83 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 2952392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).