5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one

C18H16O4 — CID 11623517

IUPAC5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(C)cc3)oc2c1
InChIInChI=1S/C18H16O4/c1-11-4-6-12(7-5-11)15-10-14(19)18-16(21-3)8-13(20-2)9-17(18)22-15/h4-10H,1-3H3
InChIKeyPEXZJZNQCHPTPI-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.79
Rot. Bonds3

About 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one

5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one (PubChem CID 11623517) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
PubChem CID11623517
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(C)cc3)oc2c1
InChIInChI=1S/C18H16O4/c1-11-4-6-12(7-5-11)15-10-14(19)18-16(21-3)8-13(20-2)9-17(18)22-15/h4-10H,1-3H3
InChIKeyPEXZJZNQCHPTPI-UHFFFAOYSA-N
XLogP3.79
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
CID 54102075
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran
CID 71423688
2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one
CID 130230703
2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one
CID 175483578
[2-(3-acetyloxy-4-methoxyphenyl)-5-methoxy-4-oxochromen-7-yl] acetate
CID 163008395
2-[4-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5,7-dimethoxychromen-4-one
CID 163024225
5,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 162954034
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one (CID 11623517) is 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccc(C)cc3)oc2c1.
What is the InChIKey of 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one?
The InChIKey is PEXZJZNQCHPTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-4-6-12(7-5-11)15-10-14(19)18-16(21-3)8-13(20-2)9-17(18)22-15/h4-10H,1-3H3.
What are the key properties of 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one?
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 11623517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).