[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate

C23H26ClNO8 — CID 20998205

IUPAC[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
SMILESCOc1ccc(-c2c/c(=[NH+]\CC3CCCO3)c3cc(C)ccc3o2)cc1OC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H25NO4.ClHO4/c1-15-6-8-20-18(11-15)19(24-14-17-5-4-10-27-17)13-22(28-20)16-7-9-21(25-2)23(12-16)26-3;2-1(3,4)5/h6-9,11-13,17H,4-5,10,14H2,1-3H3;(H,2,3,4,5)/b24-19+;
InChIKeyYUMIHHIIHAFXLF-UUWMJBOLSA-N
MW479.91 g/mol
LogP-2.17
Rot. Bonds5

About [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate

[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate (PubChem CID 20998205) has the molecular formula C23H26ClNO8 and a molecular weight of 479.91 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
PubChem CID20998205
Molecular FormulaC23H26ClNO8
Molecular Weight479.91 g/mol
Exact Mass479.13
IUPAC Name[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate
SMILESCOc1ccc(-c2c/c(=[NH+]\CC3CCCO3)c3cc(C)ccc3o2)cc1OC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H25NO4.ClHO4/c1-15-6-8-20-18(11-15)19(24-14-17-5-4-10-27-17)13-22(28-20)16-7-9-21(25-2)23(12-16)26-3;2-1(3,4)5/h6-9,11-13,17H,4-5,10,14H2,1-3H3;(H,2,3,4,5)/b24-19+;
InChIKeyYUMIHHIIHAFXLF-UUWMJBOLSA-N
XLogP-2.17
TPSA147.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.91
LogP ≤ 5-2.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]morpholin-4-ium perchlorate
CID 20998221
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
2-(3,4-dimethoxyphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 20998852
[6-chloro-2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-(3-methoxypropyl)azanium perchlorate
CID 20998908
6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 5146613
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid
CID 18593861
2-[[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]amino]butanoic acid
CID 3749969
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
CID 3557993

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate (CID 20998205) is [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate is COc1ccc(-c2c/c(=[NH+]\CC3CCCO3)c3cc(C)ccc3o2)cc1OC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate?
The InChIKey is YUMIHHIIHAFXLF-UUWMJBOLSA-N. The full InChI is InChI=1S/C23H25NO4.ClHO4/c1-15-6-8-20-18(11-15)19(24-14-17-5-4-10-27-17)13-22(28-20)16-7-9-21(25-2)23(12-16)26-3;2-1(3,4)5/h6-9,11-13,17H,4-5,10,14H2,1-3H3;(H,2,3,4,5)/b24-19+;.
What are the key properties of [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate?
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate has a molecular weight of 479.91 g/mol, XLogP of -2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(oxolan-2-ylmethyl)azanium perchlorate is sourced from PubChem (CID 20998205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).