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

C19H29NO2 — CID 23635362

IUPAC1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one
SMILESCCCCCCc1ccc(C(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-17-7-9-18(10-8-17)19(21)11-12-20-13-15-22-16-14-20/h7-10H,2-6,11-16H2,1H3
InChIKeyDRNLQHKMQJOYPM-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.71
Rot. Bonds9

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

1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one (PubChem CID 23635362) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one
PubChem CID23635362
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one
SMILESCCCCCCc1ccc(C(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C19H29NO2/c1-2-3-4-5-6-17-7-9-18(10-8-17)19(21)11-12-20-13-15-22-16-14-20/h7-10H,2-6,11-16H2,1H3
InChIKeyDRNLQHKMQJOYPM-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-hexylphenyl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one (CID 23635362) is 1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one is CCCCCCc1ccc(C(=O)CCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is DRNLQHKMQJOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-3-4-5-6-17-7-9-18(10-8-17)19(21)11-12-20-13-15-22-16-14-20/h7-10H,2-6,11-16H2,1H3.
What are the key properties of 1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one?
1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 303.45 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylphenyl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 23635362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).