3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride

C21H24ClNO3 — CID 138400585

IUPAC3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
SMILESCl.O=C1Oc2ccccc2C1(CCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H23NO3.ClH/c23-20-21(17-7-2-1-3-8-17,18-9-4-5-10-19(18)25-20)11-6-12-22-13-15-24-16-14-22;/h1-5,7-10H,6,11-16H2;1H
InChIKeyQKRZVQSVSZJPJP-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.43
Rot. Bonds5

About 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride

3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride (PubChem CID 138400585) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
PubChem CID138400585
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
SMILESCl.O=C1Oc2ccccc2C1(CCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H23NO3.ClH/c23-20-21(17-7-2-1-3-8-17,18-9-4-5-10-19(18)25-20)11-6-12-22-13-15-24-16-14-22;/h1-5,7-10H,6,11-16H2;1H
InChIKeyQKRZVQSVSZJPJP-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400584
3-nonyl-3-phenyl-1-benzofuran-2-one
CID 23503882
(3S)-3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
CID 66584151
10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 14208769
4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79423243
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one
CID 13431360
4-[3-(benzenesulfonyl)propyl]morpholine;hydrochloride
CID 3029441
(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
CID 101368746
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
3-[2-hydroxyethyl(methyl)amino]-3-phenyl-1-benzofuran-2-one
CID 13001542
6-morpholin-4-yl-1,1-diphenylhexan-3-one
CID 159280130

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride (CID 138400585) is 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride is Cl.O=C1Oc2ccccc2C1(CCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride?
The InChIKey is QKRZVQSVSZJPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3.ClH/c23-20-21(17-7-2-1-3-8-17,18-9-4-5-10-19(18)25-20)11-6-12-22-13-15-24-16-14-22;/h1-5,7-10H,6,11-16H2;1H.
What are the key properties of 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride?
3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride is sourced from PubChem (CID 138400585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).