3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one

C26H23ClO5 — CID 20999859

IUPAC3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C26H23ClO5/c1-15-10-20-22(11-16(15)2)32-25(18-8-9-21(29-3)23(13-18)30-4)26(24(20)28)31-14-17-6-5-7-19(27)12-17/h5-13H,14H2,1-4H3
InChIKeyIRTYLDAYGAUBAB-UHFFFAOYSA-N
MW450.92 g/mol
LogP6.33
Rot. Bonds6

About 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one

3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one (PubChem CID 20999859) has the molecular formula C26H23ClO5 and a molecular weight of 450.92 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
PubChem CID20999859
Molecular FormulaC26H23ClO5
Molecular Weight450.92 g/mol
Exact Mass450.12
IUPAC Name3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C26H23ClO5/c1-15-10-20-22(11-16(15)2)32-25(18-8-9-21(29-3)23(13-18)30-4)26(24(20)28)31-14-17-6-5-7-19(27)12-17/h5-13H,14H2,1-4H3
InChIKeyIRTYLDAYGAUBAB-UHFFFAOYSA-N
XLogP6.33
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.92
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999553
6-chloro-3-[(2,6-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-7-methylchromen-4-one
CID 21001413
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-3-(2-phenylethoxy)chromen-4-one
CID 21001406
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
CID 7742836
2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one
CID 20999846
propan-2-yl 4-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxymethyl]benzoate
CID 21000621

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one (CID 20999859) is 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one is COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one?
The InChIKey is IRTYLDAYGAUBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClO5/c1-15-10-20-22(11-16(15)2)32-25(18-8-9-21(29-3)23(13-18)30-4)26(24(20)28)31-14-17-6-5-7-19(27)12-17/h5-13H,14H2,1-4H3.
What are the key properties of 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one?
3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one has a molecular weight of 450.92 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 20999859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).