1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one

C19H29NO3 — CID 24843916

IUPAC1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one
SMILESCCCCCCOc1ccc(C(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C19H29NO3/c1-2-3-4-5-14-23-18-8-6-17(7-9-18)19(21)10-11-20-12-15-22-16-13-20/h6-9H,2-5,10-16H2,1H3
InChIKeyVJZCZCUEZMGVCL-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.55
Rot. Bonds10

About 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one

1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one (PubChem CID 24843916) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one
PubChem CID24843916
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one
SMILESCCCCCCOc1ccc(C(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C19H29NO3/c1-2-3-4-5-14-23-18-8-6-17(7-9-18)19(21)10-11-20-12-15-22-16-13-20/h6-9H,2-5,10-16H2,1H3
InChIKeyVJZCZCUEZMGVCL-UHFFFAOYSA-N
XLogP3.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one (CID 24843916) is 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one is CCCCCCOc1ccc(C(=O)CCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is VJZCZCUEZMGVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-2-3-4-5-14-23-18-8-6-17(7-9-18)19(21)10-11-20-12-15-22-16-13-20/h6-9H,2-5,10-16H2,1H3.
What are the key properties of 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one?
1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 319.44 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxyphenyl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 24843916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).