[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate

C24H21Cl2NO7 — CID 20999018

IUPAC[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate
SMILESCCOc1ccc(/[NH+]=c2\cc(-c3ccccc3Cl)oc3ccc(OC)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H20ClNO3.ClHO4/c1-3-28-17-10-8-16(9-11-17)26-22-15-24(19-6-4-5-7-21(19)25)29-23-13-12-18(27-2)14-20(22)23;2-1(3,4)5/h4-15H,3H2,1-2H3;(H,2,3,4,5)/b26-22+;
InChIKeyLKEBAFQSNXKHNP-LIUXSCBKSA-N
MW506.34 g/mol
LogP-0.28
Rot. Bonds5

About [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate (PubChem CID 20999018) has the molecular formula C24H21Cl2NO7 and a molecular weight of 506.34 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate
PubChem CID20999018
Molecular FormulaC24H21Cl2NO7
Molecular Weight506.34 g/mol
Exact Mass505.07
IUPAC Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate
SMILESCCOc1ccc(/[NH+]=c2\cc(-c3ccccc3Cl)oc3ccc(OC)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H20ClNO3.ClHO4/c1-3-28-17-10-8-16(9-11-17)26-22-15-24(19-6-4-5-7-21(19)25)29-23-13-12-18(27-2)14-20(22)23;2-1(3,4)5/h4-15H,3H2,1-2H3;(H,2,3,4,5)/b26-22+;
InChIKeyLKEBAFQSNXKHNP-LIUXSCBKSA-N
XLogP-0.28
TPSA137.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate
CID 20999017
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-pyrrolidin-1-ylphenyl)azanium perchlorate
CID 20999024
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate
CID 20999011
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate
CID 20999019
benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
CID 20999004
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20999006
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
2-(2-chlorophenyl)benzo[e][1]benzofuran
CID 838342
(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411877
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
CID 4088155
(3-chlorophenyl)-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 20997947

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate?
The IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate (CID 20999018) is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate.
What is the SMILES notation for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate?
The canonical SMILES for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate is CCOc1ccc(/[NH+]=c2\cc(-c3ccccc3Cl)oc3ccc(OC)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate?
The InChIKey is LKEBAFQSNXKHNP-LIUXSCBKSA-N. The full InChI is InChI=1S/C24H20ClNO3.ClHO4/c1-3-28-17-10-8-16(9-11-17)26-22-15-24(19-6-4-5-7-21(19)25)29-23-13-12-18(27-2)14-20(22)23;2-1(3,4)5/h4-15H,3H2,1-2H3;(H,2,3,4,5)/b26-22+;.
What are the key properties of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate?
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate has a molecular weight of 506.34 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate is sourced from PubChem (CID 20999018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).