5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one

C18H16O6 — CID 6708795

IUPAC5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1
InChIInChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-9-24-18-15(16(12)20)13(19)8-14(22-2)17(18)23-3/h4-9,19H,1-3H3
InChIKeyWVKDAMAQNQRJFP-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.19
Rot. Bonds4

About 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one

5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 6708795) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID6708795
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1
InChIInChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-9-24-18-15(16(12)20)13(19)8-14(22-2)17(18)23-3/h4-9,19H,1-3H3
InChIKeyWVKDAMAQNQRJFP-UHFFFAOYSA-N
XLogP3.19
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one (CID 6708795) is 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3c(OC)c(OC)cc(O)c3c2=O)cc1.
What is the InChIKey of 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is WVKDAMAQNQRJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-9-24-18-15(16(12)20)13(19)8-14(22-2)17(18)23-3/h4-9,19H,1-3H3.
What are the key properties of 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one?
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 328.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 6708795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).