2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one

C29H30O6 — CID 20999846

IUPAC2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCCOc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C29H30O6/c1-17-11-18(2)13-22(12-17)33-9-10-34-29-27(30)23-14-19(3)20(4)15-25(23)35-28(29)21-7-8-24(31-5)26(16-21)32-6/h7-8,11-16H,9-10H2,1-6H3
InChIKeyAZHZZKYYJVMXFZ-UHFFFAOYSA-N
MW474.55 g/mol
LogP6.17
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one

2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one (PubChem CID 20999846) has the molecular formula C29H30O6 and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one
PubChem CID20999846
Molecular FormulaC29H30O6
Molecular Weight474.55 g/mol
Exact Mass474.20
IUPAC Name2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCCOc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C29H30O6/c1-17-11-18(2)13-22(12-17)33-9-10-34-29-27(30)23-14-19(3)20(4)15-25(23)35-28(29)21-7-8-24(31-5)26(16-21)32-6/h7-8,11-16H,9-10H2,1-6H3
InChIKeyAZHZZKYYJVMXFZ-UHFFFAOYSA-N
XLogP6.17
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.55
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
CID 7742836
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-3-(2-phenylethoxy)chromen-4-one
CID 21001406
3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999859
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999891
6-chloro-3-[(2,6-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-7-methylchromen-4-one
CID 21001413
[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-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 20999920
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1413457
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
2-(3,4-dimethoxyphenyl)-3-(3-hydroxypropoxy)-5,7-dimethoxychromen-4-one
CID 101179168

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one (CID 20999846) is 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one is COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCCOc2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one?
The InChIKey is AZHZZKYYJVMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O6/c1-17-11-18(2)13-22(12-17)33-9-10-34-29-27(30)23-14-19(3)20(4)15-25(23)35-28(29)21-7-8-24(31-5)26(16-21)32-6/h7-8,11-16H,9-10H2,1-6H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one?
2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one has a molecular weight of 474.55 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one is sourced from PubChem (CID 20999846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).