[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone

C20H23NO4 — CID 2951338

IUPAC[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(O)CN2CCOCC2)cc1
InChIInChI=1S/C20H23NO4/c22-18(14-21-10-12-24-13-11-21)15-25-19-8-6-17(7-9-19)20(23)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2
InChIKeyBCPQCLLMYITYLC-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.99
Rot. Bonds7

About [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone

[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone (PubChem CID 2951338) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone
PubChem CID2951338
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(O)CN2CCOCC2)cc1
InChIInChI=1S/C20H23NO4/c22-18(14-21-10-12-24-13-11-21)15-25-19-8-6-17(7-9-19)20(23)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2
InChIKeyBCPQCLLMYITYLC-UHFFFAOYSA-N
XLogP1.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone (CID 2951338) is [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCC(O)CN2CCOCC2)cc1.
What is the InChIKey of [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone?
The InChIKey is BCPQCLLMYITYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-18(14-21-10-12-24-13-11-21)15-25-19-8-6-17(7-9-19)20(23)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2.
What are the key properties of [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone?
[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone has a molecular weight of 341.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 2951338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).