[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone

C23H21NO6 — CID 1208316

IUPAC[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone
SMILESCOc1ccc2occ(C(=O)c3coc4ccc(O)c(CN5CCOCC5)c34)c2c1
InChIInChI=1S/C23H21NO6/c1-27-14-2-4-20-15(10-14)17(12-29-20)23(26)18-13-30-21-5-3-19(25)16(22(18)21)11-24-6-8-28-9-7-24/h2-5,10,12-13,25H,6-9,11H2,1H3
InChIKeyKUHYIBPOSCZBNN-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.96
Rot. Bonds5

About [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone

[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone (PubChem CID 1208316) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone
PubChem CID1208316
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone
SMILESCOc1ccc2occ(C(=O)c3coc4ccc(O)c(CN5CCOCC5)c34)c2c1
InChIInChI=1S/C23H21NO6/c1-27-14-2-4-20-15(10-14)17(12-29-20)23(26)18-13-30-21-5-3-19(25)16(22(18)21)11-24-6-8-28-9-7-24/h2-5,10,12-13,25H,6-9,11H2,1H3
InChIKeyKUHYIBPOSCZBNN-UHFFFAOYSA-N
XLogP3.96
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2,5-dimethoxyphenyl)-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]methanone
CID 1246006
[5-hydroxy-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]-(3-methoxyphenyl)methanone
CID 127255296
[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-naphthalen-2-ylmethanone
CID 127254802
(2,5-dimethoxyphenyl)-[5-hydroxy-4-(4-methylmorpholin-3-yl)-1-benzofuran-3-yl]methanone
CID 141276513
[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-hydroxy-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 110206741
1-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 75412809
[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-hydroxy-1-benzofuran-3-yl]-thiophen-3-ylmethanone
CID 110206113
(5-bromothiophen-2-yl)-[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]methanone
CID 110205280
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
1-[5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]ethanone chloride
CID 53314502
methyl 4-methoxy-2-(morpholin-4-ylmethyl)benzoate
CID 67322163
(3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide
CID 124879047

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone?
The IUPAC name of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone (CID 1208316) is [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone is COc1ccc2occ(C(=O)c3coc4ccc(O)c(CN5CCOCC5)c34)c2c1.
What is the InChIKey of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone?
The InChIKey is KUHYIBPOSCZBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6/c1-27-14-2-4-20-15(10-14)17(12-29-20)23(26)18-13-30-21-5-3-19(25)16(22(18)21)11-24-6-8-28-9-7-24/h2-5,10,12-13,25H,6-9,11H2,1H3.
What are the key properties of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone?
[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone has a molecular weight of 407.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(5-methoxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 1208316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).