3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one

C26H24O6 — CID 86305068

IUPAC3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c(-c4ccc(C)cc4)c(OC)cc(OC)c3c(=O)c2OC)cc1
InChIInChI=1S/C26H24O6/c1-15-6-8-16(9-7-15)21-19(29-3)14-20(30-4)22-23(27)26(31-5)24(32-25(21)22)17-10-12-18(28-2)13-11-17/h6-14H,1-5H3
InChIKeyOFCGMMIPVZMDMW-UHFFFAOYSA-N
MW432.47 g/mol
LogP5.47
Rot. Bonds6

About 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one

3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one (PubChem CID 86305068) has the molecular formula C26H24O6 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one
PubChem CID86305068
Molecular FormulaC26H24O6
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Name3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3c(-c4ccc(C)cc4)c(OC)cc(OC)c3c(=O)c2OC)cc1
InChIInChI=1S/C26H24O6/c1-15-6-8-16(9-7-15)21-19(29-3)14-20(30-4)22-23(27)26(31-5)24(32-25(21)22)17-10-12-18(28-2)13-11-17/h6-14H,1-5H3
InChIKeyOFCGMMIPVZMDMW-UHFFFAOYSA-N
XLogP5.47
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzonitrile
CID 86304729
methyl 4-[3,5,7-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]benzoate
CID 86304727
7-hydroxy-3,5-dimethoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
CID 24880410
4-(1,3,5,6-tetramethoxy-9-oxoxanthen-4-yl)benzaldehyde
CID 73357056
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
1,3,5,6-tetramethoxy-4-phenylxanthen-9-one
CID 73351016
[6-acetyloxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 10742532
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
3-(4-methoxyphenyl)-4-(4-methylphenyl)isochromen-1-one
CID 122367134
[6-acetyloxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl] acetate
CID 10623735
5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
CID 162848461

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one?
The IUPAC name of 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one (CID 86305068) is 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one is COc1ccc(-c2oc3c(-c4ccc(C)cc4)c(OC)cc(OC)c3c(=O)c2OC)cc1.
What is the InChIKey of 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one?
The InChIKey is OFCGMMIPVZMDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O6/c1-15-6-8-16(9-7-15)21-19(29-3)14-20(30-4)22-23(27)26(31-5)24(32-25(21)22)17-10-12-18(28-2)13-11-17/h6-14H,1-5H3.
What are the key properties of 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one?
3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one has a molecular weight of 432.47 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethoxy-2-(4-methoxyphenyl)-8-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 86305068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).