[2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone

C21H23NO4 — CID 67968982

IUPAC[2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N(C)C)oc3c(O)c(C)ccc23)cc(C)c1C
InChIInChI=1S/C21H23NO4/c1-11-7-8-15-17(21(22(4)5)26-20(15)18(11)23)19(24)14-9-12(2)13(3)16(10-14)25-6/h7-10,23H,1-6H3
InChIKeyLSADPTMNRIWSFX-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.37
Rot. Bonds4

About [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone

[2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone (PubChem CID 67968982) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
PubChem CID67968982
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N(C)C)oc3c(O)c(C)ccc23)cc(C)c1C
InChIInChI=1S/C21H23NO4/c1-11-7-8-15-17(21(22(4)5)26-20(15)18(11)23)19(24)14-9-12(2)13(3)16(10-14)25-6/h7-10,23H,1-6H3
InChIKeyLSADPTMNRIWSFX-UHFFFAOYSA-N
XLogP4.37
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[7-hydroxy-3-(3-methoxy-4,5-dimethylbenzoyl)-6-methyl-1-benzofuran-2-yl]thiophene-2-carbaldehyde
CID 89280917
(7-hydroxy-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
CID 67968961
[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
CID 143274528
(2-bromo-6-methyl-1-benzofuran-3-yl)-(3-methoxy-4,5-dimethylphenyl)methanone
CID 58284121
[7-fluoro-6-methyl-2-(1-methylpyrazol-4-yl)-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
CID 71106241
disodium;[2-(furan-2-yl)-3-(3-methoxy-4,5-dimethylbenzoyl)-6-methyl-1-benzofuran-7-yl] phosphate
CID 159948337
methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate
CID 59138490
(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880187
(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
methyl N-[2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]ethyl]carbamate
CID 59138496
methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate
CID 69328888
tert-butyl N-[2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]ethyl]carbamate
CID 59138486

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone?
The IUPAC name of [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone (CID 67968982) is [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone.
What is the SMILES notation for [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone?
The canonical SMILES for [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone is COc1cc(C(=O)c2c(N(C)C)oc3c(O)c(C)ccc23)cc(C)c1C.
What is the InChIKey of [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone?
The InChIKey is LSADPTMNRIWSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-11-7-8-15-17(21(22(4)5)26-20(15)18(11)23)19(24)14-9-12(2)13(3)16(10-14)25-6/h7-10,23H,1-6H3.
What are the key properties of [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone?
[2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone has a molecular weight of 353.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-7-hydroxy-6-methyl-1-benzofuran-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone is sourced from PubChem (CID 67968982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).