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

C24H21Cl2NO8 — CID 20999019

IUPAC[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate
SMILESCOc1ccc(/[NH+]=c2\cc(-c3ccccc3Cl)oc3ccc(OC)cc23)c(OC)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H20ClNO4.ClHO4/c1-27-15-9-11-22-18(12-15)21(14-23(30-22)17-6-4-5-7-19(17)25)26-20-10-8-16(28-2)13-24(20)29-3;2-1(3,4)5/h4-14H,1-3H3;(H,2,3,4,5)/b26-21+;
InChIKeyFBBMKLBTNAHUBN-HCPJHKKFSA-N
MW522.34 g/mol
LogP-0.66
Rot. Bonds5

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

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate (PubChem CID 20999019) has the molecular formula C24H21Cl2NO8 and a molecular weight of 522.34 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate
PubChem CID20999019
Molecular FormulaC24H21Cl2NO8
Molecular Weight522.34 g/mol
Exact Mass521.06
IUPAC Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate
SMILESCOc1ccc(/[NH+]=c2\cc(-c3ccccc3Cl)oc3ccc(OC)cc23)c(OC)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H20ClNO4.ClHO4/c1-27-15-9-11-22-18(12-15)21(14-23(30-22)17-6-4-5-7-19(17)25)26-20-10-8-16(28-2)13-24(20)29-3;2-1(3,4)5/h4-14H,1-3H3;(H,2,3,4,5)/b26-21+;
InChIKeyFBBMKLBTNAHUBN-HCPJHKKFSA-N
XLogP-0.66
TPSA147.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate
CID 20999017
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-naphthalen-1-ylazanium perchlorate
CID 20999011
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate
CID 20999018
benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
CID 20999004
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-pyrrolidin-1-ylphenyl)azanium perchlorate
CID 20999024
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20999006
[6-bromo-2-(4-methoxyphenyl)chromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium
CID 46500342
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
CID 4088155
butyl-[2-(2-methoxyphenyl)chromen-4-ylidene]azanium perchlorate
CID 88787029

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate?
The IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate (CID 20999019) is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate.
What is the SMILES notation for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate?
The canonical SMILES for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate is COc1ccc(/[NH+]=c2\cc(-c3ccccc3Cl)oc3ccc(OC)cc23)c(OC)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate?
The InChIKey is FBBMKLBTNAHUBN-HCPJHKKFSA-N. The full InChI is InChI=1S/C24H20ClNO4.ClHO4/c1-27-15-9-11-22-18(12-15)21(14-23(30-22)17-6-4-5-7-19(17)25)26-20-10-8-16(28-2)13-24(20)29-3;2-1(3,4)5/h4-14H,1-3H3;(H,2,3,4,5)/b26-21+;.
What are the key properties of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate?
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate has a molecular weight of 522.34 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2,4-dimethoxyphenyl)azanium perchlorate is sourced from PubChem (CID 20999019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).