[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate

C21H17Cl2NO6 — CID 20998172

IUPAC[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate
SMILESCc1ccc2oc(-c3ccc(Cl)cc3)c/c(=[NH+]\Cc3ccco3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H16ClNO2.ClHO4/c1-14-4-9-20-18(11-14)19(23-13-17-3-2-10-24-17)12-21(25-20)15-5-7-16(22)8-6-15;2-1(3,4)5/h2-12H,13H2,1H3;(H,2,3,4,5)/b23-19+;
InChIKeyQQXLOCKEOPXCIR-IMPZXOFZSA-N
MW450.27 g/mol
LogP-0.92
Rot. Bonds3

About [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate

[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate (PubChem CID 20998172) has the molecular formula C21H17Cl2NO6 and a molecular weight of 450.27 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate
PubChem CID20998172
Molecular FormulaC21H17Cl2NO6
Molecular Weight450.27 g/mol
Exact Mass449.04
IUPAC Name[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate
SMILESCc1ccc2oc(-c3ccc(Cl)cc3)c/c(=[NH+]\Cc3ccco3)c2c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H16ClNO2.ClHO4/c1-14-4-9-20-18(11-14)19(23-13-17-3-2-10-24-17)12-21(25-20)15-5-7-16(22)8-6-15;2-1(3,4)5/h2-12H,13H2,1H3;(H,2,3,4,5)/b23-19+;
InChIKeyQQXLOCKEOPXCIR-IMPZXOFZSA-N
XLogP-0.92
TPSA132.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998139
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998201
(E)-[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]azanium perchlorate
CID 20998188
7,19-bis(4-methylphenyl)-6,18-dioxahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58410888
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
(E)-[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium perchlorate
CID 20998193
N-(furan-2-ylmethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790263
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
CID 20998205
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
CID 3557993
2-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methylchromen-4-imine
CID 2239413
1-(4-chlorophenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4223731

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate?
The IUPAC name of [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate (CID 20998172) is [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate.
What is the SMILES notation for [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate?
The canonical SMILES for [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate is Cc1ccc2oc(-c3ccc(Cl)cc3)c/c(=[NH+]\Cc3ccco3)c2c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate?
The InChIKey is QQXLOCKEOPXCIR-IMPZXOFZSA-N. The full InChI is InChI=1S/C21H16ClNO2.ClHO4/c1-14-4-9-20-18(11-14)19(23-13-17-3-2-10-24-17)12-21(25-20)15-5-7-16(22)8-6-15;2-1(3,4)5/h2-12H,13H2,1H3;(H,2,3,4,5)/b23-19+;.
What are the key properties of [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate?
[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate has a molecular weight of 450.27 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-6-methylchromen-4-ylidene]-(furan-2-ylmethyl)azanium perchlorate is sourced from PubChem (CID 20998172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).