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

C23H20O7S — CID 11546673

IUPAC(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3cccs3)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C23H20O7S/c1-26-14-8-7-13-18(23(17-6-5-9-31-17)30-21(13)20(14)25)19(24)12-10-15(27-2)22(29-4)16(11-12)28-3/h5-11,25H,1-4H3
InChIKeyZQZKMLLHXYVINV-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.13
Rot. Bonds7

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

(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11546673) has the molecular formula C23H20O7S and a molecular weight of 440.47 g/mol. Its IUPAC name is (7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11546673
Molecular FormulaC23H20O7S
Molecular Weight440.47 g/mol
Exact Mass440.09
IUPAC Name(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3cccs3)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C23H20O7S/c1-26-14-8-7-13-18(23(17-6-5-9-31-17)30-21(13)20(14)25)19(24)12-10-15(27-2)22(29-4)16(11-12)28-3/h5-11,25H,1-4H3
InChIKeyZQZKMLLHXYVINV-UHFFFAOYSA-N
XLogP5.13
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880187
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
methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate
CID 59138490
tert-butyl N-[2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]ethyl]carbamate
CID 59138486
[7-hydroxy-6-methoxy-2-(pyridin-3-ylamino)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24880182
5-[7-hydroxy-3-(3-methoxy-4,5-dimethylbenzoyl)-6-methyl-1-benzofuran-2-yl]thiophene-2-carbaldehyde
CID 89280917
[1-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]-3,3-dimethylbutan-2-yl] carbamate
CID 24880183
2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
CID 143844967
[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid
CID 144935289
3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
CID 16768733
methyl 4-thiophen-2-yl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 1277418

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 11546673) is (7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(-c3cccs3)oc3c(O)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of (7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZQZKMLLHXYVINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O7S/c1-26-14-8-7-13-18(23(17-6-5-9-31-17)30-21(13)20(14)25)19(24)12-10-15(27-2)22(29-4)16(11-12)28-3/h5-11,25H,1-4H3.
What are the key properties of (7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 440.47 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11546673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).