6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol

C21H33NO5 — CID 19369865

IUPAC6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol
SMILESCOc1c(O)c(C)c2c(c1OC)OC(C)(CCCCCN1CCOCC1)C2
InChIInChI=1S/C21H33NO5/c1-15-16-14-21(2,8-6-5-7-9-22-10-12-26-13-11-22)27-18(16)20(25-4)19(24-3)17(15)23/h23H,5-14H2,1-4H3
InChIKeyWTKGLWQSYSYJPF-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.30
Rot. Bonds8

About 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol

6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol (PubChem CID 19369865) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol.

Molecular Properties

Compound Name6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol
PubChem CID19369865
Molecular FormulaC21H33NO5
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Name6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol
SMILESCOc1c(O)c(C)c2c(c1OC)OC(C)(CCCCCN1CCOCC1)C2
InChIInChI=1S/C21H33NO5/c1-15-16-14-21(2,8-6-5-7-9-22-10-12-26-13-11-22)27-18(16)20(25-4)19(24-3)17(15)23/h23H,5-14H2,1-4H3
InChIKeyWTKGLWQSYSYJPF-UHFFFAOYSA-N
XLogP3.30
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(5-hydroxy-6,7-dimethoxy-2,4-dimethyl-3H-1-benzofuran-2-yl)-1-morpholin-4-ylpentan-1-one
CID 19369856
7-methoxy-2,2,4,6-tetramethyl-3H-1-benzofuran-5-ol
CID 20650278
6-hydroxy-2,5,7,8-tetramethyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydrochromene-2-carboxamide
CID 67262981
9-morpholin-4-ylnonan-1-ol
CID 58205558
20-morpholin-4-ylicosan-1-ol
CID 58205553
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
6-methoxy-2,5,7,8-tetramethyl-2-pentadecyl-3H-chromen-4-one
CID 118035110
(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol
CID 25119045
4-hexylmorpholine
CID 3614751
3-morpholin-4-ylpropyl 3,4,5-trihydroxybenzoate
CID 66554680
2-(6-morpholin-4-ylhexyl)-3-propan-2-ylbut-2-enedioic acid
CID 154077710

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol?
The IUPAC name of 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol (CID 19369865) is 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol.
What is the SMILES notation for 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol?
The canonical SMILES for 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol is COc1c(O)c(C)c2c(c1OC)OC(C)(CCCCCN1CCOCC1)C2.
What is the InChIKey of 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol?
The InChIKey is WTKGLWQSYSYJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO5/c1-15-16-14-21(2,8-6-5-7-9-22-10-12-26-13-11-22)27-18(16)20(25-4)19(24-3)17(15)23/h23H,5-14H2,1-4H3.
What are the key properties of 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol?
6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol has a molecular weight of 379.50 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,4-dimethyl-2-(5-morpholin-4-ylpentyl)-3H-1-benzofuran-5-ol is sourced from PubChem (CID 19369865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).