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

C20H22ClNO3 — CID 138400584

IUPAC3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
SMILESCl.O=C1Oc2ccccc2C1(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H21NO3.ClH/c22-19-20(16-6-2-1-3-7-16,10-11-21-12-14-23-15-13-21)17-8-4-5-9-18(17)24-19;/h1-9H,10-15H2;1H
InChIKeyZACYCASOUWSTFF-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.04
Rot. Bonds4

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

3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride (PubChem CID 138400584) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
PubChem CID138400584
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
SMILESCl.O=C1Oc2ccccc2C1(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C20H21NO3.ClH/c22-19-20(16-6-2-1-3-7-16,10-11-21-12-14-23-15-13-21)17-8-4-5-9-18(17)24-19;/h1-9H,10-15H2;1H
InChIKeyZACYCASOUWSTFF-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.04
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-(3-morpholin-4-ylpropyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400585
(3S)-3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
CID 66584151
3-nonyl-3-phenyl-1-benzofuran-2-one
CID 23503882
4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79423243
4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one
CID 13431360
10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 14208769
(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
CID 101368746
(3R)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356397
(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356398
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3035309
4-[2-(9H-xanthen-9-ylsulfanyl)ethyl]morpholine;hydrochloride
CID 12734144
18-methoxy-4-[2-(18-methoxy-25-oxo-7,10,13,16-tetraoxa-1,4-diazatricyclo[16.7.0.019,24]pentacosa-19,21,23-trien-4-yl)ethyl]-7,10,13,16-tetraoxa-1,4-diazatricyclo[16.7.0.019,24]pentacosa-19,21,23-trien-25-one
CID 23658911

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride (CID 138400584) is 3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride is Cl.O=C1Oc2ccccc2C1(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride?
The InChIKey is ZACYCASOUWSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3.ClH/c22-19-20(16-6-2-1-3-7-16,10-11-21-12-14-23-15-13-21)17-8-4-5-9-18(17)24-19;/h1-9H,10-15H2;1H.
What are the key properties of 3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride?
3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride has a molecular weight of 359.85 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride is sourced from PubChem (CID 138400584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).