5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one

C26H18O6 — CID 102256311

IUPAC5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3ccccc3)c(-c3cc4ccccc4oc3=O)oc2c1
InChIInChI=1S/C26H18O6/c1-29-17-13-20(30-2)23-21(14-17)31-25(22(24(23)27)15-8-4-3-5-9-15)18-12-16-10-6-7-11-19(16)32-26(18)28/h3-14H,1-2H3
InChIKeyDPRGQRPMBCDNJW-UHFFFAOYSA-N
MW426.42 g/mol
LogP5.25
Rot. Bonds4

About 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one

5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one (PubChem CID 102256311) has the molecular formula C26H18O6 and a molecular weight of 426.42 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
PubChem CID102256311
Molecular FormulaC26H18O6
Molecular Weight426.42 g/mol
Exact Mass426.11
IUPAC Name5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3ccccc3)c(-c3cc4ccccc4oc3=O)oc2c1
InChIInChI=1S/C26H18O6/c1-29-17-13-20(30-2)23-21(14-17)31-25(22(24(23)27)15-8-4-3-5-9-15)18-12-16-10-6-7-11-19(16)32-26(18)28/h3-14H,1-2H3
InChIKeyDPRGQRPMBCDNJW-UHFFFAOYSA-N
XLogP5.25
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.42
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethoxy-3-phenylchromen-2-one
CID 10493138
4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
4-hydroxy-7,9-dimethoxy-3-phenylpyrano[3,2-b][1]benzofuran-2-one
CID 54749855
3-[(4,6-dimethoxy-3-oxo-1-benzofuran-2-yl)oxy]-5,7-dimethoxy-2-phenylchromen-4-one
CID 102393062
3-phenylchromen-2-one;hydrochloride
CID 141206894
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
CID 175951658
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
CID 59838501
benzyl 5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carboxylate
CID 134911539
3-methoxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528819
[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
CID 46702115

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one (CID 102256311) is 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one is COc1cc(OC)c2c(=O)c(-c3ccccc3)c(-c3cc4ccccc4oc3=O)oc2c1.
What is the InChIKey of 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one?
The InChIKey is DPRGQRPMBCDNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O6/c1-29-17-13-20(30-2)23-21(14-17)31-25(22(24(23)27)15-8-4-3-5-9-15)18-12-16-10-6-7-11-19(16)32-26(18)28/h3-14H,1-2H3.
What are the key properties of 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one?
5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one has a molecular weight of 426.42 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one is sourced from PubChem (CID 102256311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).