2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one

C22H22O6 — CID 7742836

IUPAC2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(C)=O)cc1OC
InChIInChI=1S/C22H22O6/c1-12-8-16-18(9-13(12)2)28-21(22(20(16)24)27-11-14(3)23)15-6-7-17(25-4)19(10-15)26-5/h6-10H,11H2,1-5H3
InChIKeyAOASHCCSMIGTDL-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.06
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one

2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one (PubChem CID 7742836) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
PubChem CID7742836
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(C)=O)cc1OC
InChIInChI=1S/C22H22O6/c1-12-8-16-18(9-13(12)2)28-21(22(20(16)24)27-11-14(3)23)15-6-7-17(25-4)19(10-15)26-5/h6-10H,11H2,1-5H3
InChIKeyAOASHCCSMIGTDL-UHFFFAOYSA-N
XLogP4.06
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999891
2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one
CID 20999846
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 20999920
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999830
2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20999901
3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999859
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1413457
2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 20999908
2-[6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(1-phenylethyl)acetamide
CID 21001436
6-chloro-3-[(2,6-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-7-methylchromen-4-one
CID 21001413

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one (CID 7742836) is 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one is COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCC(C)=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one?
The InChIKey is AOASHCCSMIGTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c1-12-8-16-18(9-13(12)2)28-21(22(20(16)24)27-11-14(3)23)15-6-7-17(25-4)19(10-15)26-5/h6-10H,11H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one?
2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one has a molecular weight of 382.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one is sourced from PubChem (CID 7742836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).