[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate

C23H20ClNO6 — CID 12006253

IUPAC[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate
SMILESCOc1ccc(-c2c/c(=[NH+]\c3ccccc3)c3cc(C)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H19NO2.ClHO4/c1-16-8-13-22-20(14-16)21(24-18-6-4-3-5-7-18)15-23(26-22)17-9-11-19(25-2)12-10-17;2-1(3,4)5/h3-15H,1-2H3;(H,2,3,4,5)/b24-21+;
InChIKeyMLBCYOQGWKVTRL-BBCFSJFZSA-N
MW441.87 g/mol
LogP-1.03
Rot. Bonds3

About [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate

[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate (PubChem CID 12006253) has the molecular formula C23H20ClNO6 and a molecular weight of 441.87 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate
PubChem CID12006253
Molecular FormulaC23H20ClNO6
Molecular Weight441.87 g/mol
Exact Mass441.10
IUPAC Name[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate
SMILESCOc1ccc(-c2c/c(=[NH+]\c3ccccc3)c3cc(C)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H19NO2.ClHO4/c1-16-8-13-22-20(14-16)21(24-18-6-4-3-5-7-18)15-23(26-22)17-9-11-19(25-2)12-10-17;2-1(3,4)5/h3-15H,1-2H3;(H,2,3,4,5)/b24-21+;
InChIKeyMLBCYOQGWKVTRL-BBCFSJFZSA-N
XLogP-1.03
TPSA128.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate?
The IUPAC name of [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate (CID 12006253) is [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate.
What is the SMILES notation for [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate?
The canonical SMILES for [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate is COc1ccc(-c2c/c(=[NH+]\c3ccccc3)c3cc(C)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate?
The InChIKey is MLBCYOQGWKVTRL-BBCFSJFZSA-N. The full InChI is InChI=1S/C23H19NO2.ClHO4/c1-16-8-13-22-20(14-16)21(24-18-6-4-3-5-7-18)15-23(26-22)17-9-11-19(25-2)12-10-17;2-1(3,4)5/h3-15H,1-2H3;(H,2,3,4,5)/b24-21+;.
What are the key properties of [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate?
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate has a molecular weight of 441.87 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-phenylazanium perchlorate is sourced from PubChem (CID 12006253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).