1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one

C13H17NO3 — CID 3058736

IUPAC1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccccc1O
InChIInChI=1S/C13H17NO3/c15-12-4-2-1-3-11(12)13(16)5-6-14-7-9-17-10-8-14/h1-4,15H,5-10H2
InChIKeyIFCMPBPUODFUNU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.30
Rot. Bonds4

About 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one

1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one (PubChem CID 3058736) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one
PubChem CID3058736
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccccc1O
InChIInChI=1S/C13H17NO3/c15-12-4-2-1-3-11(12)13(16)5-6-14-7-9-17-10-8-14/h1-4,15H,5-10H2
InChIKeyIFCMPBPUODFUNU-UHFFFAOYSA-N
XLogP1.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one (CID 3058736) is 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is IFCMPBPUODFUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12-4-2-1-3-11(12)13(16)5-6-14-7-9-17-10-8-14/h1-4,15H,5-10H2.
What are the key properties of 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one?
1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 235.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 3058736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).