[3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H23NO6 — CID 25141435

IUPAC[3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(N(C)C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C21H23NO6/c1-22(2)18-14-8-7-13(24-3)11-15(14)28-21(18)19(23)12-9-16(25-4)20(27-6)17(10-12)26-5/h7-11H,1-6H3
InChIKeyOQQRKYNKMNGPEB-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.76
Rot. Bonds7

About [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25141435) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25141435
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name[3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(N(C)C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C21H23NO6/c1-22(2)18-14-8-7-13(24-3)11-15(14)28-21(18)19(23)12-9-16(25-4)20(27-6)17(10-12)26-5/h7-11H,1-6H3
InChIKeyOQQRKYNKMNGPEB-UHFFFAOYSA-N
XLogP3.76
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 25141435) is [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(N(C)C)c(C(=O)c3cc(OC)c(OC)c(OC)c3)oc2c1.
What is the InChIKey of [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OQQRKYNKMNGPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-22(2)18-14-8-7-13(24-3)11-15(14)28-21(18)19(23)12-9-16(25-4)20(27-6)17(10-12)26-5/h7-11H,1-6H3.
What are the key properties of [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 385.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-6-methoxy-1-benzofuran-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25141435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).