[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid

C20H21O8P — CID 144935289

IUPAC[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid
SMILESCOc1cc(C(=O)c2c(C)oc3c(OPO)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C20H21O8P/c1-10-16(12-6-7-13(23-2)20(28-29-22)18(12)27-10)17(21)11-8-14(24-3)19(26-5)15(9-11)25-4/h6-9,22,29H,1-5H3
InChIKeyQGEFDXJOFRDNCW-UHFFFAOYSA-N
MW420.35 g/mol
LogP3.89
Rot. Bonds8

About [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid

[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid (PubChem CID 144935289) has the molecular formula C20H21O8P and a molecular weight of 420.35 g/mol. Its IUPAC name is [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid.

Molecular Properties

Compound Name[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid
PubChem CID144935289
Molecular FormulaC20H21O8P
Molecular Weight420.35 g/mol
Exact Mass420.10
IUPAC Name[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid
SMILESCOc1cc(C(=O)c2c(C)oc3c(OPO)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C20H21O8P/c1-10-16(12-6-7-13(23-2)20(28-29-22)18(12)27-10)17(21)11-8-14(24-3)19(26-5)15(9-11)25-4/h6-9,22,29H,1-5H3
InChIKeyQGEFDXJOFRDNCW-UHFFFAOYSA-N
XLogP3.89
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880187
(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 59138493
[6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90859647
methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate
CID 69328888
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
methyl N-[2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]amino]ethyl]carbamate
CID 59138496
[6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl] phosphate
CID 59576652
methyl 2-[[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]methyl-methylamino]acetate
CID 59138490
(7-hydroxy-6-methoxy-2-thiophen-2-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11546673
[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone
CID 132559325
[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
CID 143274528
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 [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid?
The IUPAC name of [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid (CID 144935289) is [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid.
What is the SMILES notation for [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid?
The canonical SMILES for [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid is COc1cc(C(=O)c2c(C)oc3c(OPO)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid?
The InChIKey is QGEFDXJOFRDNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21O8P/c1-10-16(12-6-7-13(23-2)20(28-29-22)18(12)27-10)17(21)11-8-14(24-3)19(26-5)15(9-11)25-4/h6-9,22,29H,1-5H3.
What are the key properties of [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid?
[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid has a molecular weight of 420.35 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid is sourced from PubChem (CID 144935289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).