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

C23H19Cl2NO7 — CID 20999017

IUPAC[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate
SMILESCOc1ccc(/[NH+]=c2\cc(-c3ccccc3Cl)oc3ccc(OC)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H18ClNO3.ClHO4/c1-26-16-9-7-15(8-10-16)25-21-14-23(18-5-3-4-6-20(18)24)28-22-12-11-17(27-2)13-19(21)22;2-1(3,4)5/h3-14H,1-2H3;(H,2,3,4,5)/b25-21+;
InChIKeyFXUJGTMWSNMMRH-JMFMGIQESA-N
MW492.31 g/mol
LogP-0.67
Rot. Bonds4

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

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate (PubChem CID 20999017) has the molecular formula C23H19Cl2NO7 and a molecular weight of 492.31 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate
PubChem CID20999017
Molecular FormulaC23H19Cl2NO7
Molecular Weight492.31 g/mol
Exact Mass491.05
IUPAC Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate
SMILESCOc1ccc(/[NH+]=c2\cc(-c3ccccc3Cl)oc3ccc(OC)cc23)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H18ClNO3.ClHO4/c1-26-16-9-7-15(8-10-16)25-21-14-23(18-5-3-4-6-20(18)24)28-22-12-11-17(27-2)13-19(21)22;2-1(3,4)5/h3-14H,1-2H3;(H,2,3,4,5)/b25-21+;
InChIKeyFXUJGTMWSNMMRH-JMFMGIQESA-N
XLogP-0.67
TPSA137.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[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-(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
(3,4-dichlorophenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411877
2-(2-chlorophenyl)benzo[e][1]benzofuran
CID 838342
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882
(3-chloro-4-methoxyphenyl)-(6-chloro-2-phenylchromen-4-ylidene)azanium
CID 4088155
6-methoxy-2-naphthalen-1-ylchromen-4-one
CID 101199267
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate?
The IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate (CID 20999017) is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate.
What is the SMILES notation for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate?
The canonical SMILES for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate is COc1ccc(/[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-methoxyphenyl)azanium perchlorate?
The InChIKey is FXUJGTMWSNMMRH-JMFMGIQESA-N. The full InChI is InChI=1S/C23H18ClNO3.ClHO4/c1-26-16-9-7-15(8-10-16)25-21-14-23(18-5-3-4-6-20(18)24)28-22-12-11-17(27-2)13-19(21)22;2-1(3,4)5/h3-14H,1-2H3;(H,2,3,4,5)/b25-21+;.
What are the key properties of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate?
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-methoxyphenyl)azanium perchlorate has a molecular weight of 492.31 g/mol, XLogP of -0.67, 4 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-methoxyphenyl)azanium perchlorate is sourced from PubChem (CID 20999017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).