4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one

C19H14O6 — CID 54749855

IUPAC4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
SMILESCOc1cc(OC)c2c(c1)oc1c(O)c(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C19H14O6/c1-22-11-8-12(23-2)15-13(9-11)24-18-16(20)14(19(21)25-17(15)18)10-6-4-3-5-7-10/h3-9,20H,1-2H3
InChIKeyVMUILSVTOYJNCC-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.93
Rot. Bonds3

About 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one

4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one (PubChem CID 54749855) has the molecular formula C19H14O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one.

Molecular Properties

Compound Name4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
PubChem CID54749855
Molecular FormulaC19H14O6
Molecular Weight338.32 g/mol
Exact Mass338.08
IUPAC Name4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
SMILESCOc1cc(OC)c2c(c1)oc1c(O)c(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C19H14O6/c1-22-11-8-12(23-2)15-13(9-11)24-18-16(20)14(19(21)25-17(15)18)10-6-4-3-5-7-10/h3-9,20H,1-2H3
InChIKeyVMUILSVTOYJNCC-UHFFFAOYSA-N
XLogP3.93
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one
CID 102460794
5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
CID 102256311
5,7-dimethoxy-2-phenylchromene-4-thione
CID 56984400
4,5-dihydroxy-7-methyl-3-phenylchromen-2-one
CID 174942178
4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran
CID 71423688
5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
1,2-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 174874311
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2,4-dimethoxy-6H-isochromeno[4,3-c]chromen-11-one
CID 15552556
2-(2-hydroxyphenyl)sulfanyl-5,7-dimethoxychromen-4-one
CID 22906521
1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 5316837

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one?
The IUPAC name of 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one (CID 54749855) is 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one.
What is the SMILES notation for 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one?
The canonical SMILES for 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one is COc1cc(OC)c2c(c1)oc1c(O)c(-c3ccccc3)c(=O)oc12.
What is the InChIKey of 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one?
The InChIKey is VMUILSVTOYJNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O6/c1-22-11-8-12(23-2)15-13(9-11)24-18-16(20)14(19(21)25-17(15)18)10-6-4-3-5-7-10/h3-9,20H,1-2H3.
What are the key properties of 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one?
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one has a molecular weight of 338.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one is sourced from PubChem (CID 54749855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).