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

C24H21Cl2NO6 — CID 20999006

IUPAC[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
SMILESCOc1ccc2oc(-c3ccccc3Cl)c/c(=[NH+]\CCc3ccccc3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H20ClNO2.ClHO4/c1-27-18-11-12-23-20(15-18)22(26-14-13-17-7-3-2-4-8-17)16-24(28-23)19-9-5-6-10-21(19)25;2-1(3,4)5/h2-12,15-16H,13-14H2,1H3;(H,2,3,4,5)/b26-22+;
InChIKeyBBSUNQFGMSBNGJ-LIUXSCBKSA-N
MW490.34 g/mol
LogP-0.77
Rot. Bonds5

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

[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate (PubChem CID 20999006) has the molecular formula C24H21Cl2NO6 and a molecular weight of 490.34 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
PubChem CID20999006
Molecular FormulaC24H21Cl2NO6
Molecular Weight490.34 g/mol
Exact Mass489.07
IUPAC Name[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
SMILESCOc1ccc2oc(-c3ccccc3Cl)c/c(=[NH+]\CCc3ccccc3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H20ClNO2.ClHO4/c1-27-18-11-12-23-20(15-18)22(26-14-13-17-7-3-2-4-8-17)16-24(28-23)19-9-5-6-10-21(19)25;2-1(3,4)5/h2-12,15-16H,13-14H2,1H3;(H,2,3,4,5)/b26-22+;
InChIKeyBBSUNQFGMSBNGJ-LIUXSCBKSA-N
XLogP-0.77
TPSA128.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)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

benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
CID 20999004
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
[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-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(4-pyrrolidin-1-ylphenyl)azanium perchlorate
CID 20999024
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
butyl-[2-(2-methoxyphenyl)chromen-4-ylidene]azanium perchlorate
CID 88787029
2-(2-chlorophenyl)benzo[e][1]benzofuran
CID 838342
6-methoxy-2-naphthalen-1-ylchromen-4-one
CID 101199267

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate?
The IUPAC name of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate (CID 20999006) is [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate.
What is the SMILES notation for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate?
The canonical SMILES for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate is COc1ccc2oc(-c3ccccc3Cl)c/c(=[NH+]\CCc3ccccc3)c2c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate?
The InChIKey is BBSUNQFGMSBNGJ-LIUXSCBKSA-N. The full InChI is InChI=1S/C24H20ClNO2.ClHO4/c1-27-18-11-12-23-20(15-18)22(26-14-13-17-7-3-2-4-8-17)16-24(28-23)19-9-5-6-10-21(19)25;2-1(3,4)5/h2-12,15-16H,13-14H2,1H3;(H,2,3,4,5)/b26-22+;.
What are the key properties of [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate?
[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate has a molecular weight of 490.34 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate is sourced from PubChem (CID 20999006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).