2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid

C25H24ClNO8 — CID 18593861

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
SMILESCOc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccc(C)cc23)cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C25H23NO4.ClHO4/c1-16-5-11-22-20(13-16)21(26-18-7-9-19(27-2)10-8-18)15-24(30-22)17-6-12-23(28-3)25(14-17)29-4;2-1(3,4)5/h5-15H,1-4H3;(H,2,3,4,5)/b26-21+;
InChIKeyQTXLFLCIBYAHID-HCPJHKKFSA-N
MW501.92 g/mol
LogP1.54
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid

2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid (PubChem CID 18593861) has the molecular formula C25H24ClNO8 and a molecular weight of 501.92 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
PubChem CID18593861
Molecular FormulaC25H24ClNO8
Molecular Weight501.92 g/mol
Exact Mass501.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
SMILESCOc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccc(C)cc23)cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C25H23NO4.ClHO4/c1-16-5-11-22-20(13-16)21(26-18-7-9-19(27-2)10-8-18)15-24(30-22)17-6-12-23(28-3)25(14-17)29-4;2-1(3,4)5/h5-15H,1-4H3;(H,2,3,4,5)/b26-21+;
InChIKeyQTXLFLCIBYAHID-HCPJHKKFSA-N
XLogP1.54
TPSA142.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.92
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid (CID 18593861) is 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid is COc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccc(C)cc23)cc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid?
The InChIKey is QTXLFLCIBYAHID-HCPJHKKFSA-N. The full InChI is InChI=1S/C25H23NO4.ClHO4/c1-16-5-11-22-20(13-16)21(26-18-7-9-19(27-2)10-8-18)15-24(30-22)17-6-12-23(28-3)25(14-17)29-4;2-1(3,4)5/h5-15H,1-4H3;(H,2,3,4,5)/b26-21+;.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid?
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid has a molecular weight of 501.92 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid is sourced from PubChem (CID 18593861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).