4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one

C23H20O6 — CID 54728020

IUPAC4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one
SMILESCOc1cccc(COc2ccc3cc(-c4oc(=O)c(C)c(O)c4C)oc3c2)c1
InChIInChI=1S/C23H20O6/c1-13-21(24)14(2)23(25)29-22(13)20-10-16-7-8-18(11-19(16)28-20)27-12-15-5-4-6-17(9-15)26-3/h4-11,24H,12H2,1-3H3
InChIKeyQQXFSBDWLYYBRO-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.96
Rot. Bonds5

About 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one

4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one (PubChem CID 54728020) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one
PubChem CID54728020
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one
SMILESCOc1cccc(COc2ccc3cc(-c4oc(=O)c(C)c(O)c4C)oc3c2)c1
InChIInChI=1S/C23H20O6/c1-13-21(24)14(2)23(25)29-22(13)20-10-16-7-8-18(11-19(16)28-20)27-12-15-5-4-6-17(9-15)26-3/h4-11,24H,12H2,1-3H3
InChIKeyQQXFSBDWLYYBRO-UHFFFAOYSA-N
XLogP4.96
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-[(3-aminophenyl)methoxy]-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54728228
6-[5-[(3,5-dimethylphenyl)methoxy]-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54732123
methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate
CID 121297931
tert-butyl N-[3-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]oxymethyl]phenyl]carbamate
CID 54733738
6-[6-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54733152
4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one
CID 54738935
6-[6-(3-cyclohexylpropoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54729589
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511
6-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 7198723
4-hydroxy-3,5-dimethyl-6-[5-[[2-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-2-yl]pyran-2-one
CID 54727870
2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
CID 141293707
6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54736746

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one?
The IUPAC name of 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one (CID 54728020) is 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one.
What is the SMILES notation for 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one?
The canonical SMILES for 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one is COc1cccc(COc2ccc3cc(-c4oc(=O)c(C)c(O)c4C)oc3c2)c1.
What is the InChIKey of 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one?
The InChIKey is QQXFSBDWLYYBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O6/c1-13-21(24)14(2)23(25)29-22(13)20-10-16-7-8-18(11-19(16)28-20)27-12-15-5-4-6-17(9-15)26-3/h4-11,24H,12H2,1-3H3.
What are the key properties of 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one?
4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one has a molecular weight of 392.41 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one is sourced from PubChem (CID 54728020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).