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

C21H21NO5 — CID 1208312

IUPAC[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)cc1
InChIInChI=1S/C21H21NO5/c1-25-15-4-2-14(3-5-15)21(24)17-13-27-19-7-6-18(23)16(20(17)19)12-22-8-10-26-11-9-22/h2-7,13,23H,8-12H2,1H3
InChIKeyAXAICGAKJFAVHD-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.21
Rot. Bonds5

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

[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 1208312) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
PubChem CID1208312
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)cc1
InChIInChI=1S/C21H21NO5/c1-25-15-4-2-14(3-5-15)21(24)17-13-27-19-7-6-18(23)16(20(17)19)12-22-8-10-26-11-9-22/h2-7,13,23H,8-12H2,1H3
InChIKeyAXAICGAKJFAVHD-UHFFFAOYSA-N
XLogP3.21
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone (CID 1208312) is [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)cc1.
What is the InChIKey of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is AXAICGAKJFAVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-25-15-4-2-14(3-5-15)21(24)17-13-27-19-7-6-18(23)16(20(17)19)12-22-8-10-26-11-9-22/h2-7,13,23H,8-12H2,1H3.
What are the key properties of [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 367.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1208312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).