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

C23H19Cl2NO6 — CID 20999004

IUPACbenzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
SMILESCOc1ccc2oc(-c3ccccc3Cl)c/c(=[NH+]\Cc3ccccc3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H18ClNO2.ClHO4/c1-26-17-11-12-22-19(13-17)21(25-15-16-7-3-2-4-8-16)14-23(27-22)18-9-5-6-10-20(18)24;2-1(3,4)5/h2-14H,15H2,1H3;(H,2,3,4,5)/b25-21+;
InChIKeyNENGXOHMRFZBJZ-JMFMGIQESA-N
MW476.31 g/mol
LogP-0.81
Rot. Bonds4

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

benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate (PubChem CID 20999004) has the molecular formula C23H19Cl2NO6 and a molecular weight of 476.31 g/mol. Its IUPAC name is benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate.

Molecular Properties

Compound Namebenzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
PubChem CID20999004
Molecular FormulaC23H19Cl2NO6
Molecular Weight476.31 g/mol
Exact Mass475.06
IUPAC Namebenzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
SMILESCOc1ccc2oc(-c3ccccc3Cl)c/c(=[NH+]\Cc3ccccc3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H18ClNO2.ClHO4/c1-26-17-11-12-22-19(13-17)21(25-15-16-7-3-2-4-8-16)14-23(27-22)18-9-5-6-10-20(18)24;2-1(3,4)5/h2-14H,15H2,1H3;(H,2,3,4,5)/b25-21+;
InChIKeyNENGXOHMRFZBJZ-JMFMGIQESA-N
XLogP-0.81
TPSA128.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20999006
[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]-(2,4-dimethoxyphenyl)azanium perchlorate
CID 20999019
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-ethoxyphenyl)azanium perchlorate
CID 20999018
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-pyrrolidin-1-ylphenyl)azanium perchlorate
CID 20999024
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998275
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
2-(2-chlorophenyl)benzo[e][1]benzofuran
CID 838342
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium
CID 1193926

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate?
The IUPAC name of benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate (CID 20999004) is benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate.
What is the SMILES notation for benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate?
The canonical SMILES for benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate is COc1ccc2oc(-c3ccccc3Cl)c/c(=[NH+]\Cc3ccccc3)c2c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate?
The InChIKey is NENGXOHMRFZBJZ-JMFMGIQESA-N. The full InChI is InChI=1S/C23H18ClNO2.ClHO4/c1-26-17-11-12-22-19(13-17)21(25-15-16-7-3-2-4-8-16)14-23(27-22)18-9-5-6-10-20(18)24;2-1(3,4)5/h2-14H,15H2,1H3;(H,2,3,4,5)/b25-21+;.
What are the key properties of benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate?
benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate has a molecular weight of 476.31 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate is sourced from PubChem (CID 20999004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).