[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate

C21H24ClNO8 — CID 20998974

IUPAC[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
SMILESCCC/[NH+]=c1\cc(-c2ccc(OC)c(OC)c2)oc2ccc(OC)cc12.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H23NO4.ClHO4/c1-5-10-22-17-13-20(14-6-8-19(24-3)21(11-14)25-4)26-18-9-7-15(23-2)12-16(17)18;2-1(3,4)5/h6-9,11-13H,5,10H2,1-4H3;(H,2,3,4,5)/b22-17+;
InChIKeyPYTBLRCBFLVETN-GDHRODDYSA-N
MW453.88 g/mol
LogP-2.24
Rot. Bonds6

About [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate

[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate (PubChem CID 20998974) has the molecular formula C21H24ClNO8 and a molecular weight of 453.88 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
PubChem CID20998974
Molecular FormulaC21H24ClNO8
Molecular Weight453.88 g/mol
Exact Mass453.12
IUPAC Name[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
SMILESCCC/[NH+]=c1\cc(-c2ccc(OC)c(OC)c2)oc2ccc(OC)cc12.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H23NO4.ClHO4/c1-5-10-22-17-13-20(14-6-8-19(24-3)21(11-14)25-4)26-18-9-7-15(23-2)12-16(17)18;2-1(3,4)5/h6-9,11-13H,5,10H2,1-4H3;(H,2,3,4,5)/b22-17+;
InChIKeyPYTBLRCBFLVETN-GDHRODDYSA-N
XLogP-2.24
TPSA147.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.88
LogP ≤ 5-2.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-[3-(dimethylamino)propyl]azanium perchlorate
CID 20998909
1-[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-4-methylpiperidin-1-ium perchlorate
CID 20998984
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998201
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
CID 20998205
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20999006
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
CID 20999004
butyl-[2-(2-methoxyphenyl)chromen-4-ylidene]azanium perchlorate
CID 88787029
4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate
CID 20998221
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate
CID 20999019

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate (CID 20998974) is [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate is CCC/[NH+]=c1\cc(-c2ccc(OC)c(OC)c2)oc2ccc(OC)cc12.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate?
The InChIKey is PYTBLRCBFLVETN-GDHRODDYSA-N. The full InChI is InChI=1S/C21H23NO4.ClHO4/c1-5-10-22-17-13-20(14-6-8-19(24-3)21(11-14)25-4)26-18-9-7-15(23-2)12-16(17)18;2-1(3,4)5/h6-9,11-13H,5,10H2,1-4H3;(H,2,3,4,5)/b22-17+;.
What are the key properties of [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate?
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate has a molecular weight of 453.88 g/mol, XLogP of -2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate is sourced from PubChem (CID 20998974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).