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

C22H27NO4 — CID 10022009

IUPAC1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCOCC1
InChIInChI=1S/C22H27NO4/c24-19(16-23-12-14-26-15-13-23)17-27-22-9-5-4-8-20(22)21(25)11-10-18-6-2-1-3-7-18/h1-9,19,24H,10-17H2
InChIKeyPOGUJMYEESQTCM-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.57
Rot. Bonds9

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

1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one (PubChem CID 10022009) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one
PubChem CID10022009
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCOCC1
InChIInChI=1S/C22H27NO4/c24-19(16-23-12-14-26-15-13-23)17-27-22-9-5-4-8-20(22)21(25)11-10-18-6-2-1-3-7-18/h1-9,19,24H,10-17H2
InChIKeyPOGUJMYEESQTCM-UHFFFAOYSA-N
XLogP2.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one (CID 10022009) is 1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one?
The InChIKey is POGUJMYEESQTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c24-19(16-23-12-14-26-15-13-23)17-27-22-9-5-4-8-20(22)21(25)11-10-18-6-2-1-3-7-18/h1-9,19,24H,10-17H2.
What are the key properties of 1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one?
1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one has a molecular weight of 369.46 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-3-phenylpropan-1-one is sourced from PubChem (CID 10022009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).