5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one

C24H20O7 — CID 10477206

IUPAC5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one
SMILESCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1-c1cc(=O)c(OC)c(C)o1
InChIInChI=1S/C24H20O7/c1-13-23(28-3)16(26)11-19(30-13)22-18(27-2)12-20-21(24(22)29-4)15(25)10-17(31-20)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyGVWXIXXSXKCKKX-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.41
Rot. Bonds5

About 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one

5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one (PubChem CID 10477206) has the molecular formula C24H20O7 and a molecular weight of 420.42 g/mol. Its IUPAC name is 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one
PubChem CID10477206
Molecular FormulaC24H20O7
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC Name5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one
SMILESCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1-c1cc(=O)c(OC)c(C)o1
InChIInChI=1S/C24H20O7/c1-13-23(28-3)16(26)11-19(30-13)22-18(27-2)12-20-21(24(22)29-4)15(25)10-17(31-20)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyGVWXIXXSXKCKKX-UHFFFAOYSA-N
XLogP4.41
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
N-(7-methoxy-4-oxo-2-phenylchromen-6-yl)acetamide
CID 121366062
methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
CID 141463684
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 57405805
(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate
CID 58966182

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one?
The IUPAC name of 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one (CID 10477206) is 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one is COc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1-c1cc(=O)c(OC)c(C)o1.
What is the InChIKey of 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one?
The InChIKey is GVWXIXXSXKCKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O7/c1-13-23(28-3)16(26)11-19(30-13)22-18(27-2)12-20-21(24(22)29-4)15(25)10-17(31-20)14-8-6-5-7-9-14/h5-12H,1-4H3.
What are the key properties of 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one?
5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one has a molecular weight of 420.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one is sourced from PubChem (CID 10477206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).