5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one

C54H44O12 — CID 175483598

IUPAC5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2c(OC)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)cc1.COc1ccc(-c2c(OC)cc(OC)c3c(=O)cc(-c4ccc(OCc5ccccc5)cc4)oc23)cc1
InChIInChI=1S/C31H26O6.C23H18O6/c1-33-23-13-11-22(12-14-23)29-27(34-2)18-28(35-3)30-25(32)17-26(37-31(29)30)21-9-15-24(16-10-21)36-19-20-7-5-4-6-8-20;1-27-16-9-5-14(6-10-16)21-20(28-2)12-18(26)22-17(25)11-19(29-23(21)22)13-3-7-15(24)8-4-13/h4-18H,19H2,1-3H3;3-12,24,26H,1-2H3
InChIKeyDMEFGZVXSDYEHZ-UHFFFAOYSA-N
MW884.93 g/mol
LogP11.29
Rot. Bonds12

About 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one

5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one (PubChem CID 175483598) has the molecular formula C54H44O12 and a molecular weight of 884.93 g/mol. Its IUPAC name is 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one
PubChem CID175483598
Molecular FormulaC54H44O12
Molecular Weight884.93 g/mol
Exact Mass884.28
IUPAC Name5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2c(OC)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)cc1.COc1ccc(-c2c(OC)cc(OC)c3c(=O)cc(-c4ccc(OCc5ccccc5)cc4)oc23)cc1
InChIInChI=1S/C31H26O6.C23H18O6/c1-33-23-13-11-22(12-14-23)29-27(34-2)18-28(35-3)30-25(32)17-26(37-31(29)30)21-9-15-24(16-10-21)36-19-20-7-5-4-6-8-20;1-27-16-9-5-14(6-10-16)21-20(28-2)12-18(26)22-17(25)11-19(29-23(21)22)13-3-7-15(24)8-4-13/h4-18H,19H2,1-3H3;3-12,24,26H,1-2H3
InChIKeyDMEFGZVXSDYEHZ-UHFFFAOYSA-N
XLogP11.29
TPSA156.26 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.93
LogP ≤ 511.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one with MolForge

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Related Compounds

N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide
CID 166063280
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643
5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
CID 162880668
5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 57410655
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483
7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde
CID 86028919
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 14583620
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985971

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one (CID 175483598) is 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2c(OC)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)cc1.COc1ccc(-c2c(OC)cc(OC)c3c(=O)cc(-c4ccc(OCc5ccccc5)cc4)oc23)cc1.
What is the InChIKey of 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one?
The InChIKey is DMEFGZVXSDYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O6.C23H18O6/c1-33-23-13-11-22(12-14-23)29-27(34-2)18-28(35-3)30-25(32)17-26(37-31(29)30)21-9-15-24(16-10-21)36-19-20-7-5-4-6-8-20;1-27-16-9-5-14(6-10-16)21-20(28-2)12-18(26)22-17(25)11-19(29-23(21)22)13-3-7-15(24)8-4-13/h4-18H,19H2,1-3H3;3-12,24,26H,1-2H3.
What are the key properties of 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one?
5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one has a molecular weight of 884.93 g/mol, XLogP of 11.29, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 175483598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).