1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one

C16H23NO4 — CID 977024

IUPAC1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC[C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-2-16(19)13-3-5-15(6-4-13)21-12-14(18)11-17-7-9-20-10-8-17/h3-6,14,18H,2,7-12H2,1H3/t14-/m1/s1
InChIKeyOLGRRKKKZVVCNR-CQSZACIVSA-N
MW293.36 g/mol
LogP1.35
Rot. Bonds7

About 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one

1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one (PubChem CID 977024) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
PubChem CID977024
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC[C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-2-16(19)13-3-5-15(6-4-13)21-12-14(18)11-17-7-9-20-10-8-17/h3-6,14,18H,2,7-12H2,1H3/t14-/m1/s1
InChIKeyOLGRRKKKZVVCNR-CQSZACIVSA-N
XLogP1.35
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]-3-phenylpropan-1-one
CID 73349685
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
4-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 2236078
1-[4-[3-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 24613914
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
1-[4-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 87013325
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one (CID 977024) is 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OC[C@H](O)CN2CCOCC2)cc1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one?
The InChIKey is OLGRRKKKZVVCNR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-16(19)13-3-5-15(6-4-13)21-12-14(18)11-17-7-9-20-10-8-17/h3-6,14,18H,2,7-12H2,1H3/t14-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one?
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one has a molecular weight of 293.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one is sourced from PubChem (CID 977024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).