(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C21H22O7 — CID 24880187

IUPAC(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1oc2c(O)c(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H22O7/c1-6-13-17(12-7-8-14(24-2)19(23)20(12)28-13)18(22)11-9-15(25-3)21(27-5)16(10-11)26-4/h7-10,23H,6H2,1-5H3
InChIKeyAUAIXXOGIKABMH-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.97
Rot. Bonds7

About (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 24880187) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID24880187
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCCc1oc2c(O)c(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H22O7/c1-6-13-17(12-7-8-14(24-2)19(23)20(12)28-13)18(22)11-9-15(25-3)21(27-5)16(10-11)26-4/h7-10,23H,6H2,1-5H3
InChIKeyAUAIXXOGIKABMH-UHFFFAOYSA-N
XLogP3.97
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate
CID 59138490
methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate
CID 69328888
methyl N-[2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]ethyl]carbamate
CID 59138496
(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11546673
tert-butyl N-[2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]ethyl]carbamate
CID 59138486
[1-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]-3,3-dimethylbutan-2-yl] carbamate
CID 24880183
[7-hydroxy-6-methoxy-2-(pyridin-3-ylamino)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24880182
[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid
CID 144935289
(6-bromo-2-ethyl-1-benzofuran-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 71512090
(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate
CID 162658811
(3,5-dibromo-4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-(2-ethyl-6-hydroxy-1-benzofuran-3-yl)methanone
CID 169442050
(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 143584965

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 24880187) is (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is CCc1oc2c(O)c(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is AUAIXXOGIKABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O7/c1-6-13-17(12-7-8-14(24-2)19(23)20(12)28-13)18(22)11-9-15(25-3)21(27-5)16(10-11)26-4/h7-10,23H,6H2,1-5H3.
What are the key properties of (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 386.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 24880187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).