5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one

C16H21NO5 — CID 144805379

IUPAC5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one
SMILESCOc1cc2c(cc1OCCCN1CCOCC1)C(=O)OC2
InChIInChI=1S/C16H21NO5/c1-19-14-9-12-11-22-16(18)13(12)10-15(14)21-6-2-3-17-4-7-20-8-5-17/h9-10H,2-8,11H2,1H3
InChIKeyJHVXZYIDCRADDY-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.47
Rot. Bonds6

About 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one

5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one (PubChem CID 144805379) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one
PubChem CID144805379
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one
SMILESCOc1cc2c(cc1OCCCN1CCOCC1)C(=O)OC2
InChIInChI=1S/C16H21NO5/c1-19-14-9-12-11-22-16(18)13(12)10-15(14)21-6-2-3-17-4-7-20-8-5-17/h9-10H,2-8,11H2,1H3
InChIKeyJHVXZYIDCRADDY-UHFFFAOYSA-N
XLogP1.47
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile
CID 145493377
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
(2E,6E)-2,6-bis[[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]methylidene]cyclohexan-1-one
CID 127034968
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896
4-methoxy-2-(methylideneamino)-5-(3-morpholin-4-ylpropoxy)benzonitrile
CID 143013804
9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 666085
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one?
The IUPAC name of 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one (CID 144805379) is 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one is COc1cc2c(cc1OCCCN1CCOCC1)C(=O)OC2.
What is the InChIKey of 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one?
The InChIKey is JHVXZYIDCRADDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-19-14-9-12-11-22-16(18)13(12)10-15(14)21-6-2-3-17-4-7-20-8-5-17/h9-10H,2-8,11H2,1H3.
What are the key properties of 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one?
5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one has a molecular weight of 307.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one is sourced from PubChem (CID 144805379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).